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Rapid Prediction of Energy Level Alignment and Conductance of Single‐Molecule Junctions Through Intramolecular Dipole Moment

Advanced functional materials, 2024-10, Vol.34 (40), p.n/a

2024

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Electric Field Screening in Gate‐Tunable van der Waals 2D‐Metal/InSe Junctions

Advanced functional materials, 2022-11, Vol.32 (47), p.n/a

2022

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An Efficient Descriptor for Rapid Determination of Dipole Moments and Band Alignments of 2D Janus Transition‐Metal Dichalcogenides

Advanced functional materials, 2024-08, Vol.34 (33), p.n/a

2024

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Enhanced solar-to-hydrogen efficiency for photocatalytic water splitting based on a polarized heterostructure: the role of intrinsic dipoles in heterostructures

Journal of materials chemistry. A, Materials for energy and sustainability, 2021-07, Vol.9 (25), p.14515-14523

2021

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One molecule, two states: Single molecular switch on metallic electrodes

Wiley interdisciplinary reviews. Computational molecular science, 2021-07, Vol.11 (4), p.e1511-n/a

2021

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High Room-Temperature Thermoelectric Performance of Honeycomb GaN Monolayer

Journal of electronic materials, 2021-04, Vol.50 (4), p.2454-2459

2021

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Modeling of the cathodic and anodic polarization curves of metals and alloys at an electronic level

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-08, Vol.1 (34), p.17652-17658

2022

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van der Waals Stacking Induced Transition from Schottky to Ohmic Contacts: 2D Metals on Multilayer InSe

Journal of the American Chemical Society, 2019-02, Vol.141 (7), p.3110-3115

2019

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External strain-enhanced cysteine enantiomeric separation ability on alloyed stepped surfaces

The Journal of chemical physics, 2019-04, Vol.150 (15), p.154701-154701

2019

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Bipolar magnetic semiconductors among intermediate states during the conversion from Sc2C(OH)2 to Sc2CO2 MXene

Nanoscale, 2018-05, Vol.10 (18), p.8763-8771

2018

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Revisiting the anchoring behavior in lithium-sulfur batteries: many-body effect on the suppression of shuttle effect

npj computational materials, 2020-01, Vol.6 (1), Article 8

2020

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Effective Screening Descriptor for MXenes to Enhance Sulfur Reduction in Lithium–Sulfur Batteries

Journal of the American Chemical Society, 2023-06, Vol.145 (23), p.12601-12608

2023

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Rational Design of Halide Double Perovskites for Optoelectronic Applications

Joule, 2018-09, Vol.2 (9), p.1662-1673

2018

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Role of van der Waals interactions on the binding energies of 2D transition-metal dichalcogenides

Applied surface science, 2023-01, Vol.608, p.155163, Article 155163

2023

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Strong electron–phonon interaction and colossal magnetoresistance in EuTiO3

The European physical journal. B, Condensed matter physics, 2018-02, Vol.91 (2), p.1-6, Article 36

2018

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Effective Descriptor for Screening Single-Molecule Conductance Switches

Journal of the American Chemical Society, 2024-03, Vol.146 (10), p.6962-6973

2024

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Theoretical Insights into the Adsorption of Rare-Earth-Containing Single-Molecule Magnets on Solid Surfaces

Journal of physical chemistry. C, 2023-08, Vol.127 (32), p.15699-15709

2023

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Asymmetric Schottky Contacts in van der Waals Metal-Semiconductor-Metal Structures Based on Two-Dimensional Janus Materials

Research (Washington), 2020, Vol.2020, p.6727524-6727524

2020

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Design of a CO Oxidation Catalyst Based on Two-Dimensional MnO2

Journal of physical chemistry. C, 2016-10, Vol.120 (42), p.24302-24306

2016

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MnNi@NG: A Highly Promising Cathode for Accelerating Sulfur Redox Kinetics in Lithium–Sulfur Batteries

Journal of physical chemistry. C, 2023-12, Vol.127 (48), p.23156-23163

2023

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Modeling chemical reactions on surfaces: The roles of chemical bonding and van der Waals interactions

Progress in surface science, 2019-12, Vol.94 (4), p.100561, Article 100561

2019

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Hydrogen-Location-Sensitive Modulation of the Redox Reactivity for Oxygen-Deficient TiO2

Journal of the American Chemical Society, 2019-05, Vol.141 (21), p.8407-8411

2019

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Conductance Switching in Molecular Self-Assembled Monolayers for Application of Data Storage

Journal of physical chemistry. C, 2021-01, Vol.125 (1), p.1069-1074

2021

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Lateral InSe p–n Junction Formed by Partial Doping for Use in Ultrathin Flexible Solar Cells

The journal of physical chemistry letters, 2019-12, Vol.10 (24), p.7712-7718

2019

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Switchable Schottky Contacts: Simultaneously Enhanced Output Current and Reduced Leakage Current

Journal of the American Chemical Society, 2019-01, Vol.141 (4), p.1628-1635

2019

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Rapid Prediction of Energy Level Alignment and Conductance of Single‐Molecule Junctions Through Intramolecular Dipole Moment

Electric Field Screening in Gate‐Tunable van der Waals 2D‐Metal/InSe Junctions

An Efficient Descriptor for Rapid Determination of Dipole Moments and Band Alignments of 2D Janus Transition‐Metal Dichalcogenides

Enhanced solar-to-hydrogen efficiency for photocatalytic water splitting based on a polarized heterostructure: the role of intrinsic dipoles in heterostructures

One molecule, two states: Single molecular switch on metallic electrodes

High Room-Temperature Thermoelectric Performance of Honeycomb GaN Monolayer

Modeling of the cathodic and anodic polarization curves of metals and alloys at an electronic level

van der Waals Stacking Induced Transition from Schottky to Ohmic Contacts: 2D Metals on Multilayer InSe

External strain-enhanced cysteine enantiomeric separation ability on alloyed stepped surfaces

Bipolar magnetic semiconductors among intermediate states during the conversion from Sc2C(OH)2 to Sc2CO2 MXene

Revisiting the anchoring behavior in lithium-sulfur batteries: many-body effect on the suppression of shuttle effect

Effective Screening Descriptor for MXenes to Enhance Sulfur Reduction in Lithium–Sulfur Batteries

Rational Design of Halide Double Perovskites for Optoelectronic Applications

Role of van der Waals interactions on the binding energies of 2D transition-metal dichalcogenides

Strong electron–phonon interaction and colossal magnetoresistance in EuTiO3

Effective Descriptor for Screening Single-Molecule Conductance Switches

Theoretical Insights into the Adsorption of Rare-Earth-Containing Single-Molecule Magnets on Solid Surfaces

Asymmetric Schottky Contacts in van der Waals Metal-Semiconductor-Metal Structures Based on Two-Dimensional Janus Materials

Design of a CO Oxidation Catalyst Based on Two-Dimensional MnO2

MnNi@NG: A Highly Promising Cathode for Accelerating Sulfur Redox Kinetics in Lithium–Sulfur Batteries

Modeling chemical reactions on surfaces: The roles of chemical bonding and van der Waals interactions

Hydrogen-Location-Sensitive Modulation of the Redox Reactivity for Oxygen-Deficient TiO2

Conductance Switching in Molecular Self-Assembled Monolayers for Application of Data Storage

Lateral InSe p–n Junction Formed by Partial Doping for Use in Ultrathin Flexible Solar Cells

Switchable Schottky Contacts: Simultaneously Enhanced Output Current and Reduced Leakage Current

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