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Kinetic Nature of Grain Boundary Formation in As-Grown MoS2 Monolayers

Advanced materials (Weinheim), 2015-07, Vol.27 (27), p.4069-4074

2015

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Valley and band structure engineering of folded MoS2 bilayers

Nature nanotechnology, 2014-08, Vol.9 (10), p.825-829

2014

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Prediction of Silicon-Based Layered Structures for Optoelectronic Applications

Journal of the American Chemical Society, 2014-11, Vol.136 (45), p.15992-15997

2014

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Predicting Two-Dimensional Boron–Carbon Compounds by the Global Optimization Method

Journal of the American Chemical Society, 2011-10, Vol.133 (40), p.16285-16290

2011

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Solar-Driven Photoelectrochemical Probing of Nanodot/Nanowire/Cell Interface

Nano letters, 2014-05, Vol.14 (5), p.2702-2708

2014

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Orbital Delocalization and Enhancement of Magnetic Interactions in Perovskite Oxyhydrides

Scientific reports, 2016-01, Vol.6 (1), p.19653-19653, Article 19653

2016

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Transferable equivariant graph neural networks for the Hamiltonians of molecules and solids

npj computational materials, 2023-10, Vol.9 (1), p.182-13, Article 182

2023

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Structures of [Ag7(SR)4]− and [Ag7(DMSA)4]

Journal of the American Chemical Society, 2010-06, Vol.132 (21), p.7355-7360

2010

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The connnotation and key research areas of the new applicaiton code "computational physics" of the National Natural Science Foundation of China

SCIENTIA SINICA Physica, Mechanica & Astronomica, 2024-04, Vol.54 (4), p.247102

2024

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Universal Machine Learning Kohn–Sham Hamiltonian for Materials

Chinese physics letters, 2024-06, Vol.41 (7), p.77103

2024

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Proton-Induced Dysfunction Mechanism of Cathodes in an Aqueous Lithium Ion Battery

Journal of physical chemistry. C, 2013-04, Vol.117 (14), p.6929-6932

2013

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Origin of High Activity and Selectivity of PdAu(001) Bimetallic Surfaces toward Vinyl Acetate Synthesis

Journal of physical chemistry. C, 2008-02, Vol.112 (5), p.1539-1543

2008

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Experimental and Theoretical Investigation of the Electronic and Geometrical Structures of the Au32 Cluster

Angewandte Chemie (International ed.), 2005-11, Vol.44 (43), p.7119-7123

2005

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WO3 Nanoflakes for Enhanced Photoelectrochemical Conversion

ACS nano, 2014-11, Vol.8 (11), p.11770-11777

2014

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Special Topic: Frontiers and Prospects of Computational Physics in National Natural Science Foundation of China

SCIENTIA SINICA Physica, Mechanica & Astronomica, 2024-04, Vol.54 (4), p.247101

2024

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Prediction of (TiO2)x(Cu2O)y alloys for efficient photoelectrochemical water splitting

Physical chemistry chemical physics : PCCP, 2013-02, Vol.15 (6), p.1778-1781

2013

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Numerical approximations of a nonlinear eigenvalue problem and applications to a density functional model

Mathematical methods in the applied sciences, 2010-09, Vol.33 (14), p.1723-1742

2010

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An Optimized Ultraviolet-A Light Photodetector with Wide-Range Photoresponse Based on ZnS/ZnO Biaxial Nanobelt

Advanced materials (Weinheim), 2012-05, Vol.24 (17), p.2305-2309

2012

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Strain Induced Quantum Effect in Semiconductors

Journal of the Physical Society of Japan, 2012-07, Vol.81 (7), p.74712

2012

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A General Tensor Prediction Framework Based on Graph Neural Networks

The journal of physical chemistry letters, 2023-07, Vol.14 (28), p.6339-6348

2023

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Magnetic properties and energy-mapping analysis

Dalton transactions : an international journal of inorganic chemistry, 2013-01, Vol.42 (4), p.823-853

2013

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Incorporation of well-dispersed sub-5-nm graphitic pencil nanodots into ordered mesoporous frameworks

Nature chemistry, 2016-02, Vol.8 (2), p.171-178

2016

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Theoretical study on the magnetic properties of cathode materials in the lithium–ion battery

The Journal of chemical physics, 2023-03, Vol.158 (12), p.124702-124702

2023

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Achieving High Aqueous Energy Storage via Hydrogen-Generation Passivation

Advanced materials (Weinheim), 2016-09, Vol.28 (35), p.7626-7632

2016

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Photoelectrochemical Conversion from Graphitic C3N4 Quantum Dot Decorated Semiconductor Nanowires

ACS applied materials & interfaces, 2016-05, Vol.8 (20), p.12772-12779

2016

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Kinetic Nature of Grain Boundary Formation in As-Grown MoS2 Monolayers

Valley and band structure engineering of folded MoS2 bilayers

Prediction of Silicon-Based Layered Structures for Optoelectronic Applications

Predicting Two-Dimensional Boron–Carbon Compounds by the Global Optimization Method

Solar-Driven Photoelectrochemical Probing of Nanodot/Nanowire/Cell Interface

Orbital Delocalization and Enhancement of Magnetic Interactions in Perovskite Oxyhydrides

Transferable equivariant graph neural networks for the Hamiltonians of molecules and solids

Structures of [Ag7(SR)4]− and [Ag7(DMSA)4]

The connnotation and key research areas of the new applicaiton code "computational physics" of the National Natural Science Foundation of China

Universal Machine Learning Kohn–Sham Hamiltonian for Materials

Proton-Induced Dysfunction Mechanism of Cathodes in an Aqueous Lithium Ion Battery

Origin of High Activity and Selectivity of PdAu(001) Bimetallic Surfaces toward Vinyl Acetate Synthesis

Experimental and Theoretical Investigation of the Electronic and Geometrical Structures of the Au32 Cluster

WO3 Nanoflakes for Enhanced Photoelectrochemical Conversion

Special Topic: Frontiers and Prospects of Computational Physics in National Natural Science Foundation of China

Prediction of (TiO2)x(Cu2O)y alloys for efficient photoelectrochemical water splitting

Numerical approximations of a nonlinear eigenvalue problem and applications to a density functional model

An Optimized Ultraviolet-A Light Photodetector with Wide-Range Photoresponse Based on ZnS/ZnO Biaxial Nanobelt

Strain Induced Quantum Effect in Semiconductors

A General Tensor Prediction Framework Based on Graph Neural Networks

Magnetic properties and energy-mapping analysis

Incorporation of well-dispersed sub-5-nm graphitic pencil nanodots into ordered mesoporous frameworks

Theoretical study on the magnetic properties of cathode materials in the lithium–ion battery

Achieving High Aqueous Energy Storage via Hydrogen-Generation Passivation

Photoelectrochemical Conversion from Graphitic C3N4 Quantum Dot Decorated Semiconductor Nanowires

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