2025
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Zhang, Weidong; Xiong, Chenwei; Chen, Peng; Fu, Bing; Mao, Xianwen Elucidating Energy Conversion Pathways at Biotic/Abiotic Interfaces in Microbe-Semiconductor Hybrids Journal Article JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2025, ISSN: 0002-7863. Abstract | Links | BibTeX @article{ISI:001504342600001,
title = {Elucidating Energy Conversion Pathways at Biotic/Abiotic Interfaces in Microbe-Semiconductor Hybrids},
author = {Weidong Zhang and Chenwei Xiong and Peng Chen and Bing Fu and Xianwen Mao},
doi = {10.1021/jacs.5c02838},
times_cited = {0},
issn = {0002-7863},
year = {2025},
date = {2025-06-07},
journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},
publisher = {AMER CHEMICAL SOC},
address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA},
abstract = {Biotic/abiotic hybrid systems integrating microbes with light-absorbing semiconductor materials offer promising solutions for sustainable energy conversion and value-added chemical production. In this Perspective, we discuss the mechanistic insights into upstream energy conversion processes at the biotic-abiotic interfaces, underscoring their pivotal roles in determining biohybrid performance. We explore how biological, physicochemical, and electrochemical characterization techniques have advanced our understanding of energy conversion pathways and electron transport mechanisms within these complex systems. Moreover, we emphasize the growing importance of spatiotemporally resolved imaging in linking biological activity to physicochemical dynamics at the single-cell level. Moving forward, we propose that interdisciplinary collaborations and innovative methodologies will be critical in deepening the mechanistic understanding and unlocking the full potential of artificial photosynthetic biohybrid systems.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Biotic/abiotic hybrid systems integrating microbes with light-absorbing semiconductor materials offer promising solutions for sustainable energy conversion and value-added chemical production. In this Perspective, we discuss the mechanistic insights into upstream energy conversion processes at the biotic-abiotic interfaces, underscoring their pivotal roles in determining biohybrid performance. We explore how biological, physicochemical, and electrochemical characterization techniques have advanced our understanding of energy conversion pathways and electron transport mechanisms within these complex systems. Moreover, we emphasize the growing importance of spatiotemporally resolved imaging in linking biological activity to physicochemical dynamics at the single-cell level. Moving forward, we propose that interdisciplinary collaborations and innovative methodologies will be critical in deepening the mechanistic understanding and unlocking the full potential of artificial photosynthetic biohybrid systems. |
Swain, Nyayabanta; Tang, Ho-Kin; Foo, Darryl Chuan Wei; Khor, Brian J J; Lemarie, Gabriel; Assaad, Fakher F; Sengupta, Pinaki; Adam, Shaffique Engineering many-body quantum Hamiltonians with nonergodic properties using quantum Monte Carlo Journal Article PHYSICAL REVIEW B, 111 (22), 2025, ISSN: 2469-9950. Abstract | Links | BibTeX @article{ISI:001511184900009,
title = {Engineering many-body quantum Hamiltonians with nonergodic properties using quantum Monte Carlo},
author = {Nyayabanta Swain and Ho-Kin Tang and Darryl Chuan Wei Foo and Brian J J Khor and Gabriel Lemarie and Fakher F Assaad and Pinaki Sengupta and Shaffique Adam},
doi = {10.1103/PhysRevB.111.224201},
times_cited = {0},
issn = {2469-9950},
year = {2025},
date = {2025-06-02},
journal = {PHYSICAL REVIEW B},
volume = {111},
number = {22},
publisher = {AMER PHYSICAL SOC},
address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA},
abstract = {We present a computational framework to identify Hamiltonians of interacting quantum many-body systems that host nonergodic excited states. We combine quantum Monte Carlo simulations with the recently proposed eigenstate-to-Hamiltonian construction, which maps the ground state of a specified parent Hamiltonian to a single nonergodic excited state of a new derived Hamiltonian. This engineered Hamiltonian contains nontrivial, systematically-obtained, and emergent features that are responsible for its nonergodic properties. We demonstrate this approach by applying it to quantum many-body scar states where we discover a previously unreported family of Hamiltonians with spatially oscillating spin exchange couplings that host scar-like properties, including revivals in the quantum dynamics, and towers in the inverse participation ratio; and to many-body localization, where we find a two-dimensional Hamiltonian with correlated disorder that exhibits nonergodic scaling of the participation entropy and inverse participation ratios of order unity. The method can be applied to other known ground states to discover new quantum many-body systems with nonergodic excited states.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
We present a computational framework to identify Hamiltonians of interacting quantum many-body systems that host nonergodic excited states. We combine quantum Monte Carlo simulations with the recently proposed eigenstate-to-Hamiltonian construction, which maps the ground state of a specified parent Hamiltonian to a single nonergodic excited state of a new derived Hamiltonian. This engineered Hamiltonian contains nontrivial, systematically-obtained, and emergent features that are responsible for its nonergodic properties. We demonstrate this approach by applying it to quantum many-body scar states where we discover a previously unreported family of Hamiltonians with spatially oscillating spin exchange couplings that host scar-like properties, including revivals in the quantum dynamics, and towers in the inverse participation ratio; and to many-body localization, where we find a two-dimensional Hamiltonian with correlated disorder that exhibits nonergodic scaling of the participation entropy and inverse participation ratios of order unity. The method can be applied to other known ground states to discover new quantum many-body systems with nonergodic excited states. |
Zhang, Hongji; Grebenko, Artem K; Iakoubovskii, Konstantin V; Zhang, Hanning; Yamaletdinov, Ruslan; Makarova, Anna; Fedorov, Alexander; Rejaul, S K; Shivajirao, Ranjith; Tong, Zheng Jue; Grebenchuk, Sergey; Karadeniz, Ugur; Shi, Lu; Vyalikh, Denis V; He, Ya; Starkov, Andrei; Alekseeva, Alena A; Tee, Chuan Chu; Orofeo, Carlo Mendoza; Lin, Junhao; Suenaga, Kazutomo; Bosman, Michel; Koperski, Maciej; Weber, Bent; Novoselov, Kostya S; Yazyev, Oleg V; Toh, Chee-Tat; Ozyilmaz, Barbaros Superior Adhesion of Monolayer Amorphous Carbon to Copper Journal Article ADVANCED MATERIALS, 2025, ISSN: 0935-9648. Abstract | Links | BibTeX @article{ISI:001498039100001,
title = {Superior Adhesion of Monolayer Amorphous Carbon to Copper},
author = {Hongji Zhang and Artem K Grebenko and Konstantin V Iakoubovskii and Hanning Zhang and Ruslan Yamaletdinov and Anna Makarova and Alexander Fedorov and S K Rejaul and Ranjith Shivajirao and Zheng Jue Tong and Sergey Grebenchuk and Ugur Karadeniz and Lu Shi and Denis V Vyalikh and Ya He and Andrei Starkov and Alena A Alekseeva and Chuan Chu Tee and Carlo Mendoza Orofeo and Junhao Lin and Kazutomo Suenaga and Michel Bosman and Maciej Koperski and Bent Weber and Kostya S Novoselov and Oleg V Yazyev and Chee-Tat Toh and Barbaros Ozyilmaz},
doi = {10.1002/adma.202419112},
times_cited = {0},
issn = {0935-9648},
year = {2025},
date = {2025-05-29},
journal = {ADVANCED MATERIALS},
publisher = {WILEY-V C H VERLAG GMBH},
address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY},
abstract = {The single-atom thickness of graphene holds great potential for device scaling, but its effectiveness as a thin metal-ion diffusion barrier in microelectronics and a corrosion barrier for plasmonic devices is compromised by weak van der Waals interactions with copper (Cu), leading to delamination issues. In contrast, monolayer amorphous carbon (MAC), a recently reported single-atom-thick carbon film with a disordered sp2 hybridized structure, demonstrates superior adhesion properties. This study reveals that MAC exhibits an adhesion energy of 85 J m-2 on Cu, which is 13 times greater than that of graphene. This exceptional adhesion is attributed to the formation of covalent-like Cu & horbar;C bonds while preserving its sp2 structure, as evidenced by X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Density functional theory (DFT) calculations further elucidate that the corrugated structure of MAC facilitates the hybridization of C 2pz orbitals with Cu 4s and 3dz2 orbitals, promoting strong bonding. These insights indicate that the amorphous structure of MAC significantly enhances adhesion while preserving its elemental composition, providing a pathway to improve the mechanical reliability and performance of two-dimensional (2D) materials on metal substrates in various technological applications.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The single-atom thickness of graphene holds great potential for device scaling, but its effectiveness as a thin metal-ion diffusion barrier in microelectronics and a corrosion barrier for plasmonic devices is compromised by weak van der Waals interactions with copper (Cu), leading to delamination issues. In contrast, monolayer amorphous carbon (MAC), a recently reported single-atom-thick carbon film with a disordered sp2 hybridized structure, demonstrates superior adhesion properties. This study reveals that MAC exhibits an adhesion energy of 85 J m-2 on Cu, which is 13 times greater than that of graphene. This exceptional adhesion is attributed to the formation of covalent-like Cu & horbar;C bonds while preserving its sp2 structure, as evidenced by X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Density functional theory (DFT) calculations further elucidate that the corrugated structure of MAC facilitates the hybridization of C 2pz orbitals with Cu 4s and 3dz2 orbitals, promoting strong bonding. These insights indicate that the amorphous structure of MAC significantly enhances adhesion while preserving its elemental composition, providing a pathway to improve the mechanical reliability and performance of two-dimensional (2D) materials on metal substrates in various technological applications. |
Yuan, Yue; Pazos, Sebastian; Li, Junzhu; Tian, Bo; Alharbi, Osamah; Zhang, Xixiang; Akinwande, Deji; Lanza, Mario On-chip atomristors Journal Article MATERIALS SCIENCE & ENGINEERING R-REPORTS, 165 , 2025, ISSN: 0927-796X. Abstract | Links | BibTeX @article{ISI:001490397100001,
title = {On-chip atomristors},
author = {Yue Yuan and Sebastian Pazos and Junzhu Li and Bo Tian and Osamah Alharbi and Xixiang Zhang and Deji Akinwande and Mario Lanza},
doi = {10.1016/j.mser.2025.101006},
times_cited = {0},
issn = {0927-796X},
year = {2025},
date = {2025-05-07},
journal = {MATERIALS SCIENCE & ENGINEERING R-REPORTS},
volume = {165},
publisher = {ELSEVIER SCIENCE SA},
address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND},
abstract = {Resistive random access memories (RRAM) have shown interesting electrical performance and are relatively easy to fabricate, but their use is still restricted to a few applications due to limited reliability. The microelectronics industry has explored the fabrication of RRAM devices, but only a few amorphous metal-oxides have been tested on-chip, which are mainly TaOX, HfO2, Al2O3, CuXO, SiO2, ZrO2 and NiO. However, in these materials controlling accurately resistive switching through defect generation/recombination is very challenging because the positions of the atoms and the strengths of their bonds are unknown. Here we explore the use of defect-free monolayer hexagonal boron nitride (hBN) as insulating film in RRAM devices - often referred to as atomristors. In this crystalline material the number of atoms is 36.97 nm-2, they are arranged in-plane in a hexagonal lattice with covalent bonding, and the minimum energy to form a defect is 7.43 eV. This lower amount of uncertainties and the absence of local defects allows us to better adjust the electrical stresses to be applied for write, erase and read events, resulting in highly-reproducible non-volatile bipolar resistive switching (on-chip) with high endurance up to millions of cycles in multiple devices. These results represent a very significant advancement compared to previous atomristors patterned on SiO2 substrates. Unlike in previous atomristors, the switching is not produced by native defects, but it is produced by field-driven defects, which exhibit high potential for device ultraminiaturization.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Resistive random access memories (RRAM) have shown interesting electrical performance and are relatively easy to fabricate, but their use is still restricted to a few applications due to limited reliability. The microelectronics industry has explored the fabrication of RRAM devices, but only a few amorphous metal-oxides have been tested on-chip, which are mainly TaOX, HfO2, Al2O3, CuXO, SiO2, ZrO2 and NiO. However, in these materials controlling accurately resistive switching through defect generation/recombination is very challenging because the positions of the atoms and the strengths of their bonds are unknown. Here we explore the use of defect-free monolayer hexagonal boron nitride (hBN) as insulating film in RRAM devices - often referred to as atomristors. In this crystalline material the number of atoms is 36.97 nm-2, they are arranged in-plane in a hexagonal lattice with covalent bonding, and the minimum energy to form a defect is 7.43 eV. This lower amount of uncertainties and the absence of local defects allows us to better adjust the electrical stresses to be applied for write, erase and read events, resulting in highly-reproducible non-volatile bipolar resistive switching (on-chip) with high endurance up to millions of cycles in multiple devices. These results represent a very significant advancement compared to previous atomristors patterned on SiO2 substrates. Unlike in previous atomristors, the switching is not produced by native defects, but it is produced by field-driven defects, which exhibit high potential for device ultraminiaturization. |
Zhu, Jing; Mao, Xianwen Elucidating ionic liquids-mediated electrochemical interfaces for energy storage and electrocatalysis Journal Article MATERIALS TODAY ENERGY, 51 , 2025, ISSN: 2468-6069. Abstract | Links | BibTeX @article{ISI:001487375000001,
title = {Elucidating ionic liquids-mediated electrochemical interfaces for energy storage and electrocatalysis},
author = {Jing Zhu and Xianwen Mao},
doi = {10.1016/j.mtener.2025.101908},
times_cited = {1},
issn = {2468-6069},
year = {2025},
date = {2025-05-05},
journal = {MATERIALS TODAY ENERGY},
volume = {51},
publisher = {ELSEVIER SCI LTD},
address = {125 London Wall, London, ENGLAND},
abstract = {Ionic liquids (ILs) composed entirely of organic and/or inorganic ions exhibit diverse and tunable properties, serving as versatile energy-related functional materials. They are viable alternatives and supplements to traditional aqueous and organic electrolytes in electrochemical energy storage and conversion systems due to thermal stability, wide electrochemical windows, high ionic conductivity, and low flammability. This review aims to offer a fundamental understanding of the ion structure-electrical double layers (EDLs) relationship of emerging ILs in charge storage and transfer processes. We focused on modeling and simulation studies that connect microscopic interfacial structures and macroscopic charge-functional properties. The review starts with introducing IL types and molecular structures, then revisits physicochemical theories and computational approaches used to describe dense IL-based EDLs, with comparisons with dilute electrolytes. We summarize theoretical models for describing equilibrium EDL structures and associated capacitance behavior response to electrode polarization. We discuss recent molecular level insights into electrolyte ion adsorption and redox reactions in IL-based EDLs. Key findings include EDL structures, i.e., ion overscreening/crowing, and bilayer nanostructures, and interfacial phenomena, e.g., electrostatic shielding and local electric field effects, which critically influence performance in supercapacitors, batteries, and electrocatalysis, offering valuable guidance for the design of IL-enabled energy devices.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Ionic liquids (ILs) composed entirely of organic and/or inorganic ions exhibit diverse and tunable properties, serving as versatile energy-related functional materials. They are viable alternatives and supplements to traditional aqueous and organic electrolytes in electrochemical energy storage and conversion systems due to thermal stability, wide electrochemical windows, high ionic conductivity, and low flammability. This review aims to offer a fundamental understanding of the ion structure-electrical double layers (EDLs) relationship of emerging ILs in charge storage and transfer processes. We focused on modeling and simulation studies that connect microscopic interfacial structures and macroscopic charge-functional properties. The review starts with introducing IL types and molecular structures, then revisits physicochemical theories and computational approaches used to describe dense IL-based EDLs, with comparisons with dilute electrolytes. We summarize theoretical models for describing equilibrium EDL structures and associated capacitance behavior response to electrode polarization. We discuss recent molecular level insights into electrolyte ion adsorption and redox reactions in IL-based EDLs. Key findings include EDL structures, i.e., ion overscreening/crowing, and bilayer nanostructures, and interfacial phenomena, e.g., electrostatic shielding and local electric field effects, which critically influence performance in supercapacitors, batteries, and electrocatalysis, offering valuable guidance for the design of IL-enabled energy devices. |