Konstantin Novoselov
Degree: PhD
Affiliation: NUS – Department of Materials Science and Engineering
Research Type: Experiment
Office: EA-04-10
Email: kostya@nus.edu.sg
Contact: (65) 6601 1396
Website: http://www.condmat.physics.manchester.ac.uk/people/academic/novoselov/
CA2DM Publications:
2023 |
Li, Fanghua; Li, Yiwei; Novoselov, K S; Liang, Feng; Meng, Jiashen; Ho, Shih-Hsin; Zhao, Tong; Zhou, Hui; Ahmad, Awais; Zhu, Yinlong; Hu, Liangxing; Ji, Dongxiao; Jia, Litao; Liu, Rui; Ramakrishna, Seeram; Zhang, Xingcai Bioresource Upgrade for Sustainable Energy, Environment, and Biomedicine Journal Article NANO-MICRO LETTERS, 15 (1), 2023, ISSN: 2311-6706. @article{ISI:000912372700002, title = {Bioresource Upgrade for Sustainable Energy, Environment, and Biomedicine}, author = {Fanghua Li and Yiwei Li and K S Novoselov and Feng Liang and Jiashen Meng and Shih-Hsin Ho and Tong Zhao and Hui Zhou and Awais Ahmad and Yinlong Zhu and Liangxing Hu and Dongxiao Ji and Litao Jia and Rui Liu and Seeram Ramakrishna and Xingcai Zhang}, doi = {10.1007/s40820-022-00993-4}, times_cited = {0}, issn = {2311-6706}, year = {2023}, date = {2023-12-01}, journal = {NANO-MICRO LETTERS}, volume = {15}, number = {1}, publisher = {SHANGHAI JIAO TONG UNIV PRESS}, address = {SHANGHAI JIAO TONG UNIV, 800 DONGCHUAN RD, SHANGHAI, 200240, PEOPLES R CHINA}, abstract = {We conceptualize bioresource upgrade for sustainable energy, environment, and biomedicine with a focus on circular economy, sustainability, and carbon neutrality using high availability and low utilization biomass (HALUB). We acme energy-efficient technologies for sustainable energy and material recovery and applications. The technologies of thermochemical conversion (TC), biochemical conversion (BC), electrochemical conversion (EC), and photochemical conversion (PTC) are summarized for HALUB. Microalgal biomass could contribute to a biofuel HHV of 35.72 MJ Kg(-)(1) and total benefit of 749 $/ton biomass via TC. Specific surface area of biochar reached 3000 m(2) g(-)(1) via pyrolytic carbonization of waste bean dregs. Lignocellulosic biomass can be effectively converted into bio-stimulants and biofertilizers via BC with a high conversion efficiency of more than 90%. Besides, lignocellulosic biomass can contribute to a current density of 672 mA m(-)(2) via EC. Bioresource can be 100% selectively synthesized via electrocatalysis through EC and PTC. Machine learning, techno-economic analysis, and life cycle analysis are essential to various upgrading approaches of HALUB. Sustainable biomaterials, sustainable living materials and technologies for biomedical and multifunctional applications like nano-catalysis, microfluidic and micro/nanomotors beyond are also highlighted. New techniques and systems for the complete conversion and utilization of HALUB for new energy and materials are further discussed.}, keywords = {}, pubstate = {published}, tppubtype = {article} } We conceptualize bioresource upgrade for sustainable energy, environment, and biomedicine with a focus on circular economy, sustainability, and carbon neutrality using high availability and low utilization biomass (HALUB). We acme energy-efficient technologies for sustainable energy and material recovery and applications. The technologies of thermochemical conversion (TC), biochemical conversion (BC), electrochemical conversion (EC), and photochemical conversion (PTC) are summarized for HALUB. Microalgal biomass could contribute to a biofuel HHV of 35.72 MJ Kg(-)(1) and total benefit of 749 $/ton biomass via TC. Specific surface area of biochar reached 3000 m(2) g(-)(1) via pyrolytic carbonization of waste bean dregs. Lignocellulosic biomass can be effectively converted into bio-stimulants and biofertilizers via BC with a high conversion efficiency of more than 90%. Besides, lignocellulosic biomass can contribute to a current density of 672 mA m(-)(2) via EC. Bioresource can be 100% selectively synthesized via electrocatalysis through EC and PTC. Machine learning, techno-economic analysis, and life cycle analysis are essential to various upgrading approaches of HALUB. Sustainable biomaterials, sustainable living materials and technologies for biomedical and multifunctional applications like nano-catalysis, microfluidic and micro/nanomotors beyond are also highlighted. New techniques and systems for the complete conversion and utilization of HALUB for new energy and materials are further discussed. |
Fang, Hanyan; Mahalingam, Harshitra; Li, Xinzhe; Han, Xu; Qiu, Zhizhan; Han, Yixuan; Noori, Keian; Dulal, Dikshant; Chen, Hongfei; Lyu, Pin; Yang, Tianhao; Li, Jing; Su, Chenliang; Chen, Wei; Cai, Yongqing; Neto, Castro A H; Novoselov, Kostya S; Rodin, Aleksandr; Lu, Jiong Atomically precise vacancy-assembled quantum antidots Journal Article NATURE NANOTECHNOLOGY, 18 (12), 2023, ISSN: 1748-3387. @article{ISI:001062548200002, title = {Atomically precise vacancy-assembled quantum antidots}, author = {Hanyan Fang and Harshitra Mahalingam and Xinzhe Li and Xu Han and Zhizhan Qiu and Yixuan Han and Keian Noori and Dikshant Dulal and Hongfei Chen and Pin Lyu and Tianhao Yang and Jing Li and Chenliang Su and Wei Chen and Yongqing Cai and Castro A H Neto and Kostya S Novoselov and Aleksandr Rodin and Jiong Lu}, doi = {10.1038/s41565-023-01495-z}, times_cited = {0}, issn = {1748-3387}, year = {2023}, date = {2023-08-31}, journal = {NATURE NANOTECHNOLOGY}, volume = {18}, number = {12}, publisher = {NATURE PORTFOLIO}, address = {HEIDELBERGER PLATZ 3, BERLIN, 14197, GERMANY}, abstract = {Patterning antidots, which are regions of potential hills that repel electrons, into well-defined antidot lattices creates fascinating artificial periodic structures, leading to anomalous transport properties and exotic quantum phenomena in two-dimensional systems. Although nanolithography has brought conventional antidots from the semiclassical regime to the quantum regime, achieving precise control over the size of each antidot and its spatial period at the atomic scale has remained challenging. However, attaining such control opens the door to a new paradigm, enabling the creation of quantum antidots with discrete quantum hole states, which, in turn, offer a fertile platform to explore novel quantum phenomena and hot electron dynamics in previously inaccessible regimes. Here we report an atomically precise bottom-up fabrication of a series of atomic-scale quantum antidots through a thermal-induced assembly of a chalcogenide single vacancy in PtTe2. Such quantum antidots consist of highly ordered single-vacancy lattices, spaced by a single Te atom, reaching the ultimate downscaling limit of antidot lattices. Increasing the number of single vacancies in quantum antidots strengthens the cumulative repulsive potential and consequently enhances the collective interference of multiple-pocket scattered quasiparticles inside quantum antidots, creating multilevel quantum hole states with a tunable gap from the telecom to far-infrared regime. Moreover, precisely engineered quantum hole states of quantum antidots are geometry protected and thus survive on oxygen substitutional doping. Therefore, single-vacancy-assembled quantum antidots exhibit unprecedented robustness and property tunability, positioning them as highly promising candidates for advancing quantum information and photocatalysis technologies.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Patterning antidots, which are regions of potential hills that repel electrons, into well-defined antidot lattices creates fascinating artificial periodic structures, leading to anomalous transport properties and exotic quantum phenomena in two-dimensional systems. Although nanolithography has brought conventional antidots from the semiclassical regime to the quantum regime, achieving precise control over the size of each antidot and its spatial period at the atomic scale has remained challenging. However, attaining such control opens the door to a new paradigm, enabling the creation of quantum antidots with discrete quantum hole states, which, in turn, offer a fertile platform to explore novel quantum phenomena and hot electron dynamics in previously inaccessible regimes. Here we report an atomically precise bottom-up fabrication of a series of atomic-scale quantum antidots through a thermal-induced assembly of a chalcogenide single vacancy in PtTe2. Such quantum antidots consist of highly ordered single-vacancy lattices, spaced by a single Te atom, reaching the ultimate downscaling limit of antidot lattices. Increasing the number of single vacancies in quantum antidots strengthens the cumulative repulsive potential and consequently enhances the collective interference of multiple-pocket scattered quasiparticles inside quantum antidots, creating multilevel quantum hole states with a tunable gap from the telecom to far-infrared regime. Moreover, precisely engineered quantum hole states of quantum antidots are geometry protected and thus survive on oxygen substitutional doping. Therefore, single-vacancy-assembled quantum antidots exhibit unprecedented robustness and property tunability, positioning them as highly promising candidates for advancing quantum information and photocatalysis technologies. |
Yang, Kou; Hu, Zhitao; Li, Xiaolai; Nikolaev, Konstantin; Hong, Gan Kai; Mamchik, Natalia; Erofeev, Ivan; Mirsaidov, Utkur M; Neto, Antonio Castro H; Blackwood, Daniel J; Shchukin, Dmitry G; Trushin, Maxim; Novoselov, Kostya S; Andreeva, Daria V Graphene oxide-polyamine preprogrammable nanoreactors with sensing capability for corrosion protection of materials Journal Article PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 120 (35), 2023, ISSN: 0027-8424. @article{ISI:001112759000007, title = {Graphene oxide-polyamine preprogrammable nanoreactors with sensing capability for corrosion protection of materials}, author = {Kou Yang and Zhitao Hu and Xiaolai Li and Konstantin Nikolaev and Gan Kai Hong and Natalia Mamchik and Ivan Erofeev and Utkur M Mirsaidov and Antonio Castro H Neto and Daniel J Blackwood and Dmitry G Shchukin and Maxim Trushin and Kostya S Novoselov and Daria V Andreeva}, doi = {10.1073/pnas.2307618120}, times_cited = {0}, issn = {0027-8424}, year = {2023}, date = {2023-08-21}, journal = {PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA}, volume = {120}, number = {35}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {Corrosion is one of the major issues for sustainable manufacturing globally. The annual global cost of corrosion is US$2.5 trillion (approximately 3.4% of the world's GDP). The traditional ways of corrosion protection (such as barriers or inhibiting) are either not very effective (in the case of barrier protection) or excessively expensive (inhibiting). Here, we demonstrate a concept of nanoreactors, which are able to controllably release or adsorb protons or hydroxides directly on corrosion sites, hence, selectively regulating the corrosion reactions. A single nanoreactor comprises a nano compartment wrapped around by a pH-sensing membrane represented, respectively, by a halloysite nanotube and a graphene oxide/polyamine envelope. A nanoreactor response is determined by the change of a signaling pH on a given corrosion site. The nanoreactors are self-assembled and suitable for mass line production. The concept creates sustainable technology for developing smart anticorrosion coatings, which are nontoxic, selective, and inexpensive.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Corrosion is one of the major issues for sustainable manufacturing globally. The annual global cost of corrosion is US$2.5 trillion (approximately 3.4% of the world's GDP). The traditional ways of corrosion protection (such as barriers or inhibiting) are either not very effective (in the case of barrier protection) or excessively expensive (inhibiting). Here, we demonstrate a concept of nanoreactors, which are able to controllably release or adsorb protons or hydroxides directly on corrosion sites, hence, selectively regulating the corrosion reactions. A single nanoreactor comprises a nano compartment wrapped around by a pH-sensing membrane represented, respectively, by a halloysite nanotube and a graphene oxide/polyamine envelope. A nanoreactor response is determined by the change of a signaling pH on a given corrosion site. The nanoreactors are self-assembled and suitable for mass line production. The concept creates sustainable technology for developing smart anticorrosion coatings, which are nontoxic, selective, and inexpensive. |
Kazeev, Nikita; Al-Maeeni, Abdalaziz Rashid; Romanov, Ignat; Faleev, Maxim; Lukin, Ruslan; Tormasov, Alexander; Neto, Castro A H; Novoselov, Kostya S; Huang, Pengru; Ustyuzhanin, Andrey Sparse representation for machine learning the properties of defects in 2D materials Journal Article NPJ COMPUTATIONAL MATERIALS, 9 (1), 2023. @article{ISI:001016773900002, title = {Sparse representation for machine learning the properties of defects in 2D materials}, author = {Nikita Kazeev and Abdalaziz Rashid Al-Maeeni and Ignat Romanov and Maxim Faleev and Ruslan Lukin and Alexander Tormasov and Castro A H Neto and Kostya S Novoselov and Pengru Huang and Andrey Ustyuzhanin}, doi = {10.1038/s41524-023-01062-z}, times_cited = {0}, year = {2023}, date = {2023-06-26}, journal = {NPJ COMPUTATIONAL MATERIALS}, volume = {9}, number = {1}, publisher = {NATURE PORTFOLIO}, address = {HEIDELBERGER PLATZ 3, BERLIN, 14197, GERMANY}, abstract = {Two-dimensional materials offer a promising platform for the next generation of (opto-) electronic devices and other high technology applications. One of the most exciting characteristics of 2D crystals is the ability to tune their properties via controllable introduction of defects. However, the search space for such structures is enormous, and ab-initio computations prohibitively expensive. We propose a machine learning approach for rapid estimation of the properties of 2D material given the lattice structure and defect configuration. The method suggests a way to represent configuration of 2D materials with defects that allows a neural network to train quickly and accurately. We compare our methodology with the state-of-the-art approaches and demonstrate at least 3.7 times energy prediction error drop. Also, our approach is an order of magnitude more resource-efficient than its contenders both for the training and inference part.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Two-dimensional materials offer a promising platform for the next generation of (opto-) electronic devices and other high technology applications. One of the most exciting characteristics of 2D crystals is the ability to tune their properties via controllable introduction of defects. However, the search space for such structures is enormous, and ab-initio computations prohibitively expensive. We propose a machine learning approach for rapid estimation of the properties of 2D material given the lattice structure and defect configuration. The method suggests a way to represent configuration of 2D materials with defects that allows a neural network to train quickly and accurately. We compare our methodology with the state-of-the-art approaches and demonstrate at least 3.7 times energy prediction error drop. Also, our approach is an order of magnitude more resource-efficient than its contenders both for the training and inference part. |
Huang, Pengru; Lukin, Ruslan; Faleev, Maxim; Kazeev, Nikita; Al-Maeeni, Abdalaziz Rashid; Andreeva, Daria V; Ustyuzhanin, Andrey; Tormasov, Alexander; Neto, Castro A H; Novoselov, Kostya S Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets (vol 7, 6, 2023) Journal Article NPJ 2D MATERIALS AND APPLICATIONS, 7 (1), 2023. @article{ISI:000980421600001, title = {Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets (vol 7, 6, 2023)}, author = {Pengru Huang and Ruslan Lukin and Maxim Faleev and Nikita Kazeev and Abdalaziz Rashid Al-Maeeni and Daria V Andreeva and Andrey Ustyuzhanin and Alexander Tormasov and Castro A H Neto and Kostya S Novoselov}, doi = {10.1038/s41699-023-00397-x}, times_cited = {0}, year = {2023}, date = {2023-04-28}, journal = {NPJ 2D MATERIALS AND APPLICATIONS}, volume = {7}, number = {1}, publisher = {NATURE PORTFOLIO}, address = {HEIDELBERGER PLATZ 3, BERLIN, 14197, GERMANY}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Costa, Mariana C F; Ng, Pei Rou; Grebenchuck, Sergey; Tan, Jun You; Koon, Gavin K W; Tan, Hui Li; Woods, Colin R; Donato, Ricardo K; Novoselov, Kostya S; Neto, Antonio Castro H Colossal enhancement of electrical and mechanical properties of graphene nanoscrolls Journal Article CARBON, 208 , pp. 140-147, 2023, ISSN: 0008-6223. @article{ISI:000973042300001, title = {Colossal enhancement of electrical and mechanical properties of graphene nanoscrolls}, author = {Mariana C F Costa and Pei Rou Ng and Sergey Grebenchuck and Jun You Tan and Gavin K W Koon and Hui Li Tan and Colin R Woods and Ricardo K Donato and Kostya S Novoselov and Antonio Castro H Neto}, doi = {10.1016/j.carbon.2023.03.025}, times_cited = {0}, issn = {0008-6223}, year = {2023}, date = {2023-03-29}, journal = {CARBON}, volume = {208}, pages = {140-147}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {One of the most important characteristics of two-dimensional (2D) electrolytes [1] is their ability to reversibly transform into one-dimensional (1D) structures, such as nanoscrolls. However, when formed, these 1D structures are soft and unstable (because of the weak internal chemical bonds) and poorly electrically conducting (since chemical functionalization introduces a large degree of disorder in the 2D material basal plane). Using Peak-ForceTM quantitative nano-mechanics (PF-QNMTM) mode in atomic force microscopy (AFM) and electrical transport measurements, we demonstrate that a one-step, catalyst-free, graphitization of 1D graphene nano-scrolls leads to an enhanced structural stability (an increase of 6 times in the Young's modulus) and a dramatic reduction of structural disorder (observed by a resulting 5 orders of magnitude reduction of the electrical resistance) These large changes in physical properties open up the doors for the use of 1D graphene nanoscrolls in the study of exotic materials in 1D as well as a plethora of possible industrial applications, such as hydrogen and energy storage, akin to carbon nanotubes but with a much bigger flexibility in terms of morphologies and functionalities.}, keywords = {}, pubstate = {published}, tppubtype = {article} } One of the most important characteristics of two-dimensional (2D) electrolytes [1] is their ability to reversibly transform into one-dimensional (1D) structures, such as nanoscrolls. However, when formed, these 1D structures are soft and unstable (because of the weak internal chemical bonds) and poorly electrically conducting (since chemical functionalization introduces a large degree of disorder in the 2D material basal plane). Using Peak-ForceTM quantitative nano-mechanics (PF-QNMTM) mode in atomic force microscopy (AFM) and electrical transport measurements, we demonstrate that a one-step, catalyst-free, graphitization of 1D graphene nano-scrolls leads to an enhanced structural stability (an increase of 6 times in the Young's modulus) and a dramatic reduction of structural disorder (observed by a resulting 5 orders of magnitude reduction of the electrical resistance) These large changes in physical properties open up the doors for the use of 1D graphene nanoscrolls in the study of exotic materials in 1D as well as a plethora of possible industrial applications, such as hydrogen and energy storage, akin to carbon nanotubes but with a much bigger flexibility in terms of morphologies and functionalities. |
Song, Rongguo; Mao, Boyang; Wang, Zhe; Hui, Yueyue; Zhang, Ning; Fang, Ran; Zhang, Jingwei; Wu, Yuen; Ge, Qi; Novoselov, Kostya S; He, Daping Comparison of copper and graphene-assembled films in 5G wireless communication and THz electromagnetic-interference shielding Journal Article PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 120 (9), 2023, ISSN: 0027-8424. @article{ISI:001037033500004, title = {Comparison of copper and graphene-assembled films in 5G wireless communication and THz electromagnetic-interference shielding}, author = {Rongguo Song and Boyang Mao and Zhe Wang and Yueyue Hui and Ning Zhang and Ran Fang and Jingwei Zhang and Yuen Wu and Qi Ge and Kostya S Novoselov and Daping He}, doi = {10.1073/pnas.2209807120}, times_cited = {0}, issn = {0027-8424}, year = {2023}, date = {2023-02-28}, journal = {PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA}, volume = {120}, number = {9}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {Since first developed, the conducting materials in wireless communication and electro-magnetic interference (EMI) shielding devices have been primarily made of metal-based structures. Here, we present a graphene-assembled film (GAF) that can be used to replace copper in such practical electronics. The GAF-based antennas present strong anticorrosive behavior. The GAF ultra-wideband antenna covers the frequency range of 3.7 GHz to 67 GHz with the bandwidth (BW) of 63.3 GHz, which exceed similar to 110% than the copper foil-based antenna. The GAF Fifth Generation (5G) antenna array features a wider BW and lower sidelobe level compared with that of copper antennas. EMI shielding effectiveness (SE) of GAF also outperforms copper, reaching up to 127 dB in the frequency range of 2.6 GHz to 0.32 THz, with a SE per unit thickness of 6,966 dB/mm. We also confirm that GAF metamaterials exhibit promising frequency selection characteristics and angular stability as flexible frequency selective surfaces.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Since first developed, the conducting materials in wireless communication and electro-magnetic interference (EMI) shielding devices have been primarily made of metal-based structures. Here, we present a graphene-assembled film (GAF) that can be used to replace copper in such practical electronics. The GAF-based antennas present strong anticorrosive behavior. The GAF ultra-wideband antenna covers the frequency range of 3.7 GHz to 67 GHz with the bandwidth (BW) of 63.3 GHz, which exceed similar to 110% than the copper foil-based antenna. The GAF Fifth Generation (5G) antenna array features a wider BW and lower sidelobe level compared with that of copper antennas. EMI shielding effectiveness (SE) of GAF also outperforms copper, reaching up to 127 dB in the frequency range of 2.6 GHz to 0.32 THz, with a SE per unit thickness of 6,966 dB/mm. We also confirm that GAF metamaterials exhibit promising frequency selection characteristics and angular stability as flexible frequency selective surfaces. |
Huang, Pengru; Lukin, Ruslan; Faleev, Maxim; Kazeev, Nikita; Al-Maeeni, Abdalaziz Rashid; Andreeva, Daria V; Ustyuzhanin, Andrey; Tormasov, Alexander; Neto, Castro A H; Novoselov, Kostya S Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets Journal Article NPJ 2D MATERIALS AND APPLICATIONS, 7 (1), 2023. @article{ISI:000924124300002, title = {Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets}, author = {Pengru Huang and Ruslan Lukin and Maxim Faleev and Nikita Kazeev and Abdalaziz Rashid Al-Maeeni and Daria V Andreeva and Andrey Ustyuzhanin and Alexander Tormasov and Castro A H Neto and Kostya S Novoselov}, doi = {10.1038/s41699-023-00369-1}, times_cited = {0}, year = {2023}, date = {2023-02-01}, journal = {NPJ 2D MATERIALS AND APPLICATIONS}, volume = {7}, number = {1}, publisher = {NATURE PORTFOLIO}, address = {HEIDELBERGER PLATZ 3, BERLIN, 14197, GERMANY}, abstract = {Modification of physical properties of materials and design of materials with on-demand characteristics is at the heart of modern technology. Rare application relies on pure materials-most devices and technologies require careful design of materials properties through alloying, creating heterostructures of composites, or controllable introduction of defects. At the same time, such designer materials are notoriously difficult to model. Thus, it is very tempting to apply machine learning methods to such systems. Unfortunately, there is only a handful of machine learning-friendly material databases available these days. We develop a platform for easy implementation of machine learning techniques to materials design and populate it with datasets on pristine and defected materials. Here we introduce the 2D Material Defect (2DMD) datasets that include defect properties of represented 2D materials such as MoS2, WSe2, hBN, GaSe, InSe, and black phosphorous, calculated using DFT. Our study provides a data-driven physical understanding of complex behaviors of defect properties in 2D materials, holding promise for a guide to the development of efficient machine learning models. In addition, with the increasing enrollment of datasets, our database could provide a platform for designing materials with predetermined properties.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Modification of physical properties of materials and design of materials with on-demand characteristics is at the heart of modern technology. Rare application relies on pure materials-most devices and technologies require careful design of materials properties through alloying, creating heterostructures of composites, or controllable introduction of defects. At the same time, such designer materials are notoriously difficult to model. Thus, it is very tempting to apply machine learning methods to such systems. Unfortunately, there is only a handful of machine learning-friendly material databases available these days. We develop a platform for easy implementation of machine learning techniques to materials design and populate it with datasets on pristine and defected materials. Here we introduce the 2D Material Defect (2DMD) datasets that include defect properties of represented 2D materials such as MoS2, WSe2, hBN, GaSe, InSe, and black phosphorous, calculated using DFT. Our study provides a data-driven physical understanding of complex behaviors of defect properties in 2D materials, holding promise for a guide to the development of efficient machine learning models. In addition, with the increasing enrollment of datasets, our database could provide a platform for designing materials with predetermined properties. |
2022 |
Latychevskaia, Tatiana; Huang, Pengru; Novoselov, Kostya S Imaging defects in two-dimensional crystals by convergent-beam electron diffraction Journal Article PHYSICAL REVIEW B, 105 (18), 2022, ISSN: 2469-9950. @article{ISI:000811549600002, title = {Imaging defects in two-dimensional crystals by convergent-beam electron diffraction}, author = {Tatiana Latychevskaia and Pengru Huang and Kostya S Novoselov}, doi = {10.1103/PhysRevB.105.184113}, times_cited = {0}, issn = {2469-9950}, year = {2022}, date = {2022-05-31}, journal = {PHYSICAL REVIEW B}, volume = {105}, number = {18}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {Convergent-beam electron diffraction (CBED), recently demonstrated on two-dimensional (2D) materials, of-fers a number of interesting applications such as imaging atomic in-and out-of plane shifts, interlayer distances, and individual adsorbates. In this study, we show how CBED allows for atomic-precision imaging of individual defects in 2D materials using one single-shot intensity measurement. In combination with structural calculations using density-functional theory, we present simulated CBED patterns for various defects in graphene, each of which exhibits a unique fingerprint distribution. We also show how atomic positions, including the individual atomic defects in graphene, can be reconstructed by iterative phase retrieval from a single CBED pattern.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Convergent-beam electron diffraction (CBED), recently demonstrated on two-dimensional (2D) materials, of-fers a number of interesting applications such as imaging atomic in-and out-of plane shifts, interlayer distances, and individual adsorbates. In this study, we show how CBED allows for atomic-precision imaging of individual defects in 2D materials using one single-shot intensity measurement. In combination with structural calculations using density-functional theory, we present simulated CBED patterns for various defects in graphene, each of which exhibits a unique fingerprint distribution. We also show how atomic positions, including the individual atomic defects in graphene, can be reconstructed by iterative phase retrieval from a single CBED pattern. |
Zhang, Taiming; Grzeszczyk, Magdalena; Li, Jing; Yu, Wei; Xu, Haomin; He, Peng; Yang, Liming; Qiu, Zhizhan; Lin, HuiHui; Yang, Huimin; Zeng, Jian; Sun, Tao; Li, Zejun; Wu, Jishan; Lin, Ming; Loh, Kian Ping; Su, Chenliang; Novoselov, Kostya S; Carvalho, Alexandra; Koperski, Maciej; Lu, Jiong Degradation Chemistry and Kinetic Stabilization of Magnetic CrI3 Journal Article JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 144 (12), pp. 5295-5303, 2022, ISSN: 0002-7863. @article{ISI:000799109400015, title = {Degradation Chemistry and Kinetic Stabilization of Magnetic CrI_{3}}, author = {Taiming Zhang and Magdalena Grzeszczyk and Jing Li and Wei Yu and Haomin Xu and Peng He and Liming Yang and Zhizhan Qiu and HuiHui Lin and Huimin Yang and Jian Zeng and Tao Sun and Zejun Li and Jishan Wu and Ming Lin and Kian Ping Loh and Chenliang Su and Kostya S Novoselov and Alexandra Carvalho and Maciej Koperski and Jiong Lu}, doi = {10.1021/jacs.1c08906}, times_cited = {0}, issn = {0002-7863}, year = {2022}, date = {2022-03-30}, journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, volume = {144}, number = {12}, pages = {5295-5303}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {The discovery of the intrinsic magnetic order in single-layer chromium trihalides (CrX3, X = I, Br, and Cl) has drawn intensive interest due to their potential application in spintronic devices. However, the notorious environmental instability of this class of materials under ambient conditions renders their device fabrication and practical application extremely challenging. Her; we performed a systematic investigation of the degradation chemistry of chromium iodide (CrI3), the most studied among CrX3 families, via a joint spectroscopic and microscopic analysis of the structural and composition evolution of bulk and exfoliated nanoflakes in different environments. Unlike other air-sensitive 2D materials, CrI3 undergoes a pseudo-first-order hydrolysis in the presence of pure water toward the formation of amorphous Cr(OH)(3) and hydrogen iodide (HI) with a rate constant of k(1) = 0.63 day(-1) without light. In contrast, a faster pseudo-first-order surface oxidation of CrI3 occurs in a pure O-2 environment, generating CrO3 and I-2 with a large rate constant of k(Cr) = 4.2 day(-1). Both hydrolysis and surface oxidation of CrI3 can be accelerated via light irradiation, resulting in its ultrafast degradation in air. The new chemical insights obtained allow for the design of an effective stabilization strategy for CrI3 with preserved optical and magnetic properties. The use of organic acid solvents (e.g., formic acid) as reversible capping agents ensures that CrI3 nanoflakes remain stable beyond 1 month due to the effective suppression of both hydrolysis and oxidation of CrI3.}, keywords = {}, pubstate = {published}, tppubtype = {article} } The discovery of the intrinsic magnetic order in single-layer chromium trihalides (CrX3, X = I, Br, and Cl) has drawn intensive interest due to their potential application in spintronic devices. However, the notorious environmental instability of this class of materials under ambient conditions renders their device fabrication and practical application extremely challenging. Her; we performed a systematic investigation of the degradation chemistry of chromium iodide (CrI3), the most studied among CrX3 families, via a joint spectroscopic and microscopic analysis of the structural and composition evolution of bulk and exfoliated nanoflakes in different environments. Unlike other air-sensitive 2D materials, CrI3 undergoes a pseudo-first-order hydrolysis in the presence of pure water toward the formation of amorphous Cr(OH)(3) and hydrogen iodide (HI) with a rate constant of k(1) = 0.63 day(-1) without light. In contrast, a faster pseudo-first-order surface oxidation of CrI3 occurs in a pure O-2 environment, generating CrO3 and I-2 with a large rate constant of k(Cr) = 4.2 day(-1). Both hydrolysis and surface oxidation of CrI3 can be accelerated via light irradiation, resulting in its ultrafast degradation in air. The new chemical insights obtained allow for the design of an effective stabilization strategy for CrI3 with preserved optical and magnetic properties. The use of organic acid solvents (e.g., formic acid) as reversible capping agents ensures that CrI3 nanoflakes remain stable beyond 1 month due to the effective suppression of both hydrolysis and oxidation of CrI3. |
Ares, Pablo; Novoselov, Kostya S Recent advances in graphene and other 2D materials Journal Article 42 NANO MATERIALS SCIENCE , 4 (1), pp. 3-9, 2022, ISSN: 2096-6482. @article{ISI:000854923000001, title = {Recent advances in graphene and other 2D materials }, author = {Pablo Ares and Kostya S Novoselov}, doi = {10.1016/j.nanoms.2021.05.002}, times_cited = {42}, issn = {2096-6482}, year = {2022}, date = {2022-03-15}, journal = {NANO MATERIALS SCIENCE }, volume = {4}, number = {1}, pages = {3-9}, publisher = {KEAI PUBLISHING LTD }, address = {16 DONGHUANGCHENGGEN NORTH ST, BEIJING, DONGCHENG DISTRICT 100717, PEOPLES R CHINA }, abstract = {The isolation of the first two-dimensional material, graphene ??? a monolayer of carbon atoms arranged in a hexagonal lattice -opened new exciting opportunities in the field of condensed matter physics and materials. Its isolation and subsequent studies demonstrated that it was possible to obtain sheets of atomically thin crystals and that these were stable, and they also began to show its outstanding properties, thus opening the door to a whole new family of materials, known as two-dimensional materials or 2D materials. The great interest in different 2D materials is motivated by the variety of properties they show, being candidates for numerous applications. Additionally, the combination of 2D crystals allows the assembly of composite, on-demand materials, known as van der Waals heterostructures, which take advantage of the properties of those materials to create functionalities that otherwise would not be accessible. For example, the combination of 2D materials, which can be done with high precision, is opening up opportunities for the study of new challenges in fundamental physics and novel applications. Here we review the latest fundamental discoveries in the area of 2D materials and offer a perspective on the future of the field. }, keywords = {}, pubstate = {published}, tppubtype = {article} } The isolation of the first two-dimensional material, graphene ??? a monolayer of carbon atoms arranged in a hexagonal lattice -opened new exciting opportunities in the field of condensed matter physics and materials. Its isolation and subsequent studies demonstrated that it was possible to obtain sheets of atomically thin crystals and that these were stable, and they also began to show its outstanding properties, thus opening the door to a whole new family of materials, known as two-dimensional materials or 2D materials. The great interest in different 2D materials is motivated by the variety of properties they show, being candidates for numerous applications. Additionally, the combination of 2D crystals allows the assembly of composite, on-demand materials, known as van der Waals heterostructures, which take advantage of the properties of those materials to create functionalities that otherwise would not be accessible. For example, the combination of 2D materials, which can be done with high precision, is opening up opportunities for the study of new challenges in fundamental physics and novel applications. Here we review the latest fundamental discoveries in the area of 2D materials and offer a perspective on the future of the field. |
Quek, Glenn; Su, Yude; Donato, Ricardo K; Vazquez, Ricardo J; Marangoni, Valeria S; Ng, Pei Rou; Costa, Mariana C F; Kundukad, Binu; Novoselov, Konstantin S; Neto, Antonio Castro H; Bazan, Guillermo C Pseudocapacitive Conjugated Polyelectrolyte/2D Electrolyte Hydrogels with Enhanced Physico-Electrochemical Properties Journal Article ADVANCED ELECTRONIC MATERIALS, 8 (5), 2022, ISSN: 2199-160X. @article{ISI:000738632900001, title = {Pseudocapacitive Conjugated Polyelectrolyte/2D Electrolyte Hydrogels with Enhanced Physico-Electrochemical Properties}, author = {Glenn Quek and Yude Su and Ricardo K Donato and Ricardo J Vazquez and Valeria S Marangoni and Pei Rou Ng and Mariana C F Costa and Binu Kundukad and Konstantin S Novoselov and Antonio Castro H Neto and Guillermo C Bazan}, doi = {10.1002/aelm.202100942}, times_cited = {0}, issn = {2199-160X}, year = {2022}, date = {2022-01-05}, journal = {ADVANCED ELECTRONIC MATERIALS}, volume = {8}, number = {5}, publisher = {WILEY}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {Conducting polymer hydrogels (CPHs) are an attractive class of materials that synergize the electrical properties of organic semiconductors with the physical properties of hydrogels. Of particular interest is the implementation of CPHs as electrode materials for electrochemical energy storage by taking advantage of redox-tunable conjugated backbones and the large electroactive surface area. Herein, the use of 2D electrolytes as an effective post-polymerization additive to enhance the pseudocapacitive performance of CPHs, is demonstrated. By using the self-doped conjugated polyelectrolyte CPE-K hydrogel as a model system, improvements in cycling stability, specific capacitance and working voltage window upon addition of the 2D electrolytes, are shown. Furthermore, positively charged 2D electrolytes to be more effective than their negatively charged counterparts are revealed. Rheology measurements and SEM imaging indicate that the 2D electrolytes serve as non-covalent cross-linkers that help in forming a mechanically more robust and highly percolated conducting network. These results provide a new and simple to execute post-polymerization strategy to optimize the electrochemical performance of CPH-based pseudocapacitors.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Conducting polymer hydrogels (CPHs) are an attractive class of materials that synergize the electrical properties of organic semiconductors with the physical properties of hydrogels. Of particular interest is the implementation of CPHs as electrode materials for electrochemical energy storage by taking advantage of redox-tunable conjugated backbones and the large electroactive surface area. Herein, the use of 2D electrolytes as an effective post-polymerization additive to enhance the pseudocapacitive performance of CPHs, is demonstrated. By using the self-doped conjugated polyelectrolyte CPE-K hydrogel as a model system, improvements in cycling stability, specific capacitance and working voltage window upon addition of the 2D electrolytes, are shown. Furthermore, positively charged 2D electrolytes to be more effective than their negatively charged counterparts are revealed. Rheology measurements and SEM imaging indicate that the 2D electrolytes serve as non-covalent cross-linkers that help in forming a mechanically more robust and highly percolated conducting network. These results provide a new and simple to execute post-polymerization strategy to optimize the electrochemical performance of CPH-based pseudocapacitors. |
2021 |
Fang, Yixian; Pan, Kewen; Leng, Ting; Ouslimani, Habiba Hafdallah; Novoselov, Kostya S; Hu, Zhirun IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION, 69 (12), pp. 8503-8511, 2021, ISSN: 0018-926X. @article{ISI:000731151900062, title = {Controlling Graphene Sheet Resistance for Broadband Printable and Flexible Artificial Magnetic Conductor-Based Microwave Radar Absorber Applications}, author = {Yixian Fang and Kewen Pan and Ting Leng and Habiba Hafdallah Ouslimani and Kostya S Novoselov and Zhirun Hu}, doi = {10.1109/TAP.2021.3098538}, times_cited = {0}, issn = {0018-926X}, year = {2021}, date = {2021-12-01}, journal = {IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION}, volume = {69}, number = {12}, pages = {8503-8511}, publisher = {IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC}, address = {445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA}, abstract = {Current artificial magnetic conductor (AMC) designs use metallic patterns on rigid substrates and focus on shapes and sizes of AMC structures, rather than on material performance, which has hindered operation bandwidth and design flexibility. Here, we introduce printed graphene AMC-based broadband and flexible microwave radar absorbers, which not only redirect but also absorb the incident wave so to broaden the operation bandwidth. Contrasting to other reported works, the phase characteristics of the AMCs are realized through the control of the surface resistance provided by printed graphene laminates. We produced a variety of AMC structures, composed of printed graphene circular ring arrays with exactly the same shape and size, but different sheet resistances. By carefully designing the sheet resistance of printed graphene laminates, the optimized anti-phase reflection cancellation between AMCs can be achieved. With printed graphene AMCs and flexible dielectric substrate, the absorber presented in this work has a broadband effective absorption (above 90% absorptivity) from 7.58 GHz to 18, is polarization insensitive under normal incident, and can work at relatively wide incident angles. Furthermore, this absorber is capable of bending easily with notable performance, which makes it ideal for applications with irregular and uneven shapes.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Current artificial magnetic conductor (AMC) designs use metallic patterns on rigid substrates and focus on shapes and sizes of AMC structures, rather than on material performance, which has hindered operation bandwidth and design flexibility. Here, we introduce printed graphene AMC-based broadband and flexible microwave radar absorbers, which not only redirect but also absorb the incident wave so to broaden the operation bandwidth. Contrasting to other reported works, the phase characteristics of the AMCs are realized through the control of the surface resistance provided by printed graphene laminates. We produced a variety of AMC structures, composed of printed graphene circular ring arrays with exactly the same shape and size, but different sheet resistances. By carefully designing the sheet resistance of printed graphene laminates, the optimized anti-phase reflection cancellation between AMCs can be achieved. With printed graphene AMCs and flexible dielectric substrate, the absorber presented in this work has a broadband effective absorption (above 90% absorptivity) from 7.58 GHz to 18, is polarization insensitive under normal incident, and can work at relatively wide incident angles. Furthermore, this absorber is capable of bending easily with notable performance, which makes it ideal for applications with irregular and uneven shapes. |
Zhou, Xinyao; Leng, Ting; Pan, Kewen; Abdalla, Mahmoud; Novoselov, Kostya S; Hu, Zhirun Conformal screen printed graphene 4 x 4 wideband MIMO antenna on flexible substrate for 5G communication and IoT applications Journal Article 2D MATERIALS, 8 (4), 2021, ISSN: 2053-1583. @article{ISI:000687843300001, title = {Conformal screen printed graphene 4 x 4 wideband MIMO antenna on flexible substrate for 5G communication and IoT applications}, author = {Xinyao Zhou and Ting Leng and Kewen Pan and Mahmoud Abdalla and Kostya S Novoselov and Zhirun Hu}, doi = {10.1088/2053-1583/ac1959}, times_cited = {0}, issn = {2053-1583}, year = {2021}, date = {2021-10-01}, journal = {2D MATERIALS}, volume = {8}, number = {4}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {Screen-printed graphene is integrated with multiple-input multiple-output (MIMO) technology to conquer the most concerned surge in electronic waste caused by the mass deployment of Internet of things (IoT) applications. A flexible MIMO antenna is implemented with simple fabrication process suitable for large-scale production by screen printing graphene highly conductive ink on paper substrate, ensuring high-speed 5G mass data wireless transmission without damaging the ecological environment. This environmental-friendly, low-cost, flexible and conformal MIMO antenna with orthogonal polarization diversity employs co-planar waveguide feed and planar pattern for achieving high space utilization and better integration in most scenarios, for instance, body centric networks and monitoring systems. Excellent performance has been achieved due to the high conductivity of the graphene: the fabricated antenna exhibits an average sheet resistance of 1.9 omega sq(-1) 2.22 GHz to 3.85 GHz (53.71% fractional bandwidth), covering 4G long term evolution, sub-6 GHz 5G mobile communication networks, 2.5 and 3.5 GHz WiMAX, and 2.4 and 3.6 GHz WLAN. Within this range, the antenna exhibits effective radiation, also its envelope correlation coefficient remains below 0.2x10(-6) , manifesting outstanding signal transmission quality in a variety of wireless networks. This work illustrates a novel aggregation of MIMO technology and graphene printing electronics, enabling cheap accessible and green MIMO antennas to be massively integrated in IoT applications.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Screen-printed graphene is integrated with multiple-input multiple-output (MIMO) technology to conquer the most concerned surge in electronic waste caused by the mass deployment of Internet of things (IoT) applications. A flexible MIMO antenna is implemented with simple fabrication process suitable for large-scale production by screen printing graphene highly conductive ink on paper substrate, ensuring high-speed 5G mass data wireless transmission without damaging the ecological environment. This environmental-friendly, low-cost, flexible and conformal MIMO antenna with orthogonal polarization diversity employs co-planar waveguide feed and planar pattern for achieving high space utilization and better integration in most scenarios, for instance, body centric networks and monitoring systems. Excellent performance has been achieved due to the high conductivity of the graphene: the fabricated antenna exhibits an average sheet resistance of 1.9 omega sq(-1) 2.22 GHz to 3.85 GHz (53.71% fractional bandwidth), covering 4G long term evolution, sub-6 GHz 5G mobile communication networks, 2.5 and 3.5 GHz WiMAX, and 2.4 and 3.6 GHz WLAN. Within this range, the antenna exhibits effective radiation, also its envelope correlation coefficient remains below 0.2x10(-6) , manifesting outstanding signal transmission quality in a variety of wireless networks. This work illustrates a novel aggregation of MIMO technology and graphene printing electronics, enabling cheap accessible and green MIMO antennas to be massively integrated in IoT applications. |
Zhu, Yanwu; Qu, Bill; Andreeva, Daria V; Ye, Chuanren; Novoselov, Kostya S Graphene standardization: The lesson from the East Journal Article MATERIALS TODAY, 47 , pp. 9-15, 2021, ISSN: 1369-7021. @article{ISI:000686902100006, title = {Graphene standardization: The lesson from the East}, author = {Yanwu Zhu and Bill Qu and Daria V Andreeva and Chuanren Ye and Kostya S Novoselov}, doi = {10.1016/j.mattod.2021.05.018}, times_cited = {0}, issn = {1369-7021}, year = {2021}, date = {2021-08-19}, journal = {MATERIALS TODAY}, volume = {47}, pages = {9-15}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {How do scientific ideas become market products? There is probably no single pathway for such transformation. And yet, there are certain similarities in the way how advanced materials evolve from laboratory studies to being used in technology. Common steps in such progress are the enhancement of useful properties, development of the production methods, creation of industrially-relevant modifi-cation of the material itself and its fabrication process. The reason in the emergent similarities in the pathway to market is the established relation between materials supplier and the final product manufacturers. A dramatic role in such relations is played by industrial standards. The later can help, but also, if incorrectly developed, can stumble the final product development. We will study the process of commercialisation of graphene, its transformation to commodity and the emerging graphene standardisation efforts.}, keywords = {}, pubstate = {published}, tppubtype = {article} } How do scientific ideas become market products? There is probably no single pathway for such transformation. And yet, there are certain similarities in the way how advanced materials evolve from laboratory studies to being used in technology. Common steps in such progress are the enhancement of useful properties, development of the production methods, creation of industrially-relevant modifi-cation of the material itself and its fabrication process. The reason in the emergent similarities in the pathway to market is the established relation between materials supplier and the final product manufacturers. A dramatic role in such relations is played by industrial standards. The later can help, but also, if incorrectly developed, can stumble the final product development. We will study the process of commercialisation of graphene, its transformation to commodity and the emerging graphene standardisation efforts. |