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Tunable characteristics of low-frequency bandgaps in two-dimensional multivibrator phononic crystal plates under prestrain

Scientific reports, 2021-04, Vol.11 (1), p.8389-8389, Article 8389

2021

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Valley transport via dual-band elastic topological edge states in local-resonant phononic crystal plate

Journal of applied physics, 2023-03, Vol.133 (9)

2023

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Machine Learning Study on the Virtual Screening of Donor–Acceptor Pairs for Organic Solar Cells

Physica status solidi. A, Applications and materials science, 2024-05, Vol.221 (9), p.n/a

2024

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Machine learning study on organic solar cells and virtual screening of designed non-fullerene acceptors

Journal of applied physics, 2023-10, Vol.134 (15)

2023

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Study of high-pressure thermophysical properties of orthocarbonate Sr3CO5 using deep learning molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (7), p.6351-6361

2024

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Development of the new interatomic potentials for the wurtzite phase of ZnO

Applied physics. A, Materials science & processing, 2022-06, Vol.128 (6), Article 482

2022

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Structural transition, mechanical properties and electronic structure of the ZnO under high pressure via first-principles investigations

Applied physics. A, Materials science & processing, 2022-08, Vol.128 (8), Article 707

2022

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Open‐circuit voltage loss and dielectric constants as new descriptors in machine learning study on organic photovoltaics

International journal of quantum chemistry, 2023-03, Vol.123 (5), p.n/a

2023

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Modulating the organic photovoltaic properties of non-fullerene acceptors by molecular modification based on Y6: a theoretical study

Physical chemistry chemical physics : PCCP, 2023-09, Vol.25 (37), p.25465-25479

2023

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High-performance phononic crystal sensing structure for acetone solution concentration sensing

Scientific reports, 2023-04, Vol.13 (1), p.7057-7057, Article 7057

2023

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Novel superhard semiconducting structures of C8B2N2 predicted using the first-principles approach

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (3), p.2629-2637

2024

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First-principles study on the high-pressure physical properties of orthocarbonate Ca2CO4

Scientific reports, 2023-07, Vol.13 (1), p.11422-11422, Article 11422

2023

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Molecular stacking pattern effects in heterojunction of D18:Y6 organic solar cell

International journal of quantum chemistry, 2023-03, Vol.123 (5), p.n/a

2023

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Formamidinium dopant effects on double perovskite Cs2AgBiBr6

International journal of quantum chemistry, 2022-02, Vol.122 (4), p.n/a

2022

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Molecular tuning of non-fullerene electron acceptors in organic photovoltaics: a theoretical study

New journal of chemistry, 2022-10, Vol.46 (42), p.224-2216

2022

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Interface configuration effects on excitation, exciton dissociation, and charge recombination in organic photovoltaic heterojunction

International journal of quantum chemistry, 2020-02, Vol.120 (4), p.n/a

2020

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First-principles calculations of high-pressure physical properties anisotropy for magnesite

Scientific reports, 2022-03, Vol.12 (1), p.3691-3691, Article 3691

2022

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Fusion of thienyl into the backbone of electron acceptor in organic photovoltaic heterojunctions: a comparative study of BTPT-4F and BTPTT-4F

New journal of chemistry, 2020-04, Vol.44 (14), p.5224-5234

2020

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Tunable low-frequency bandgaps of a new two-dimensional multi-component phononic crystal under different pressures, geometric parameters and pre-compression strains

Mechanics of advanced materials and structures, 2022-10, Vol.29 (25), p.4019-4031

2022

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Molecular Docking toward Panchromatic Dye Sensitizers for Solar Cells Based upon Tetraazulenylporphyrin and Tetraanthracenylporphyrin

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-04, Vol.121 (13), p.2655-2664

2017

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The role of the conjugate bridge in electronic structures and related properties of tetrahydroquinoline for dye sensitized solar cells

International journal of molecular sciences, 2013-03, Vol.14 (3), p.5461-5481

2013

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DFT and TD-DFT study on structure and properties of organic dye sensitizer TA-St-CA

Current Applied Physics, 2010, 10(1), , pp.77-83

2010

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First-principles study of stability of point defects and their effects on electronic properties of GaAs/AlGaAs superlattice

Chinese physics B, 2022-03, Vol.31 (3), p.36104-498

2022

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Understanding the electronic structures and absorption properties of porphyrin sensitizers YD2 and YD2-o-C8 for dye-sensitized solar cells

International journal of molecular sciences, 2013-10, Vol.14 (10), p.20171-20188

2013

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Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model

International journal of molecular sciences, 2018-04, Vol.19 (4), p.1134

2018

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Tunable characteristics of low-frequency bandgaps in two-dimensional multivibrator phononic crystal plates under prestrain

Valley transport via dual-band elastic topological edge states in local-resonant phononic crystal plate

Machine Learning Study on the Virtual Screening of Donor–Acceptor Pairs for Organic Solar Cells

Machine learning study on organic solar cells and virtual screening of designed non-fullerene acceptors

Study of high-pressure thermophysical properties of orthocarbonate Sr3CO5 using deep learning molecular dynamics simulations

Development of the new interatomic potentials for the wurtzite phase of ZnO

Structural transition, mechanical properties and electronic structure of the ZnO under high pressure via first-principles investigations

Open‐circuit voltage loss and dielectric constants as new descriptors in machine learning study on organic photovoltaics

Modulating the organic photovoltaic properties of non-fullerene acceptors by molecular modification based on Y6: a theoretical study

High-performance phononic crystal sensing structure for acetone solution concentration sensing

Novel superhard semiconducting structures of C8B2N2 predicted using the first-principles approach

First-principles study on the high-pressure physical properties of orthocarbonate Ca2CO4

Molecular stacking pattern effects in heterojunction of D18:Y6 organic solar cell

Formamidinium dopant effects on double perovskite Cs2AgBiBr6

Molecular tuning of non-fullerene electron acceptors in organic photovoltaics: a theoretical study

Interface configuration effects on excitation, exciton dissociation, and charge recombination in organic photovoltaic heterojunction

First-principles calculations of high-pressure physical properties anisotropy for magnesite

Fusion of thienyl into the backbone of electron acceptor in organic photovoltaic heterojunctions: a comparative study of BTPT-4F and BTPTT-4F

Tunable low-frequency bandgaps of a new two-dimensional multi-component phononic crystal under different pressures, geometric parameters and pre-compression strains

Molecular Docking toward Panchromatic Dye Sensitizers for Solar Cells Based upon Tetraazulenylporphyrin and Tetraanthracenylporphyrin

The role of the conjugate bridge in electronic structures and related properties of tetrahydroquinoline for dye sensitized solar cells

DFT and TD-DFT study on structure and properties of organic dye sensitizer TA-St-CA

First-principles study of stability of point defects and their effects on electronic properties of GaAs/AlGaAs superlattice

Understanding the electronic structures and absorption properties of porphyrin sensitizers YD2 and YD2-o-C8 for dye-sensitized solar cells

Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model

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