陈时友｜复旦大学｜学者主页

期刊论文

2026

A compact bias-dependent body resistance model for partially depleted silicon-on-insulator MOSFETs

Tian-Ye Yu, Gongteng Xiao, Yudi Zhao, Shiyou Chen, Guangxi Hu, Ye Lu

Microelectronics Journal

DOI

2026

Unraveling the Photoexcited Dual-Threshold Phase Transitions in Niobium Dioxide

Zhennan Lin, Ruirong Bai, Qian Cheng, Guokun Ma, Shiyou Chen, Yu‐Ning Wu

The Journal of Physical Chemistry Letters

DOI

2023

Novel ferroelectric structures of Al1-xScxN with low polarization switching barriers and large spontaneous polarization

Shiyou Chen

Science China(Physics,Mechanics & Astronomy)

2022

Defect physics of the quasi-two-dimensional photovoltaic semiconductor GeSe

闫赛超，魏金宸，王珊珊，黄梦麟，吴宇宁，陈时友

Chinese Physics B

2022

DASP: Defect and Dopant ab-initio Simulation Package

Menglin Huang, Zhengneng Zheng, Zhenxing Dai, Xinjing Guo, Shanshan Wang, Lilai Jiang, Jinchen Wei, Shiyou Chen

Journal of Semiconductors

2020

First-principles exploration of defect-pairs in GaN

He Li, Menglin Huang, Shiyou Chen

Journal of Semiconductors

2019

Earth-abundant photovoltaic semiconductor NaSbS2in the rocksalt-derived structure:A first-principles study

Xian Zhang, Menglin Huang, Peng Xu, Chen-Min Dai, Zenghua Cai, Dan Han, Shiyou Chen

Progress in Natural Science:Materials International

2018

Theoretical study on the kesterite solar cells based on Cu2ZnSn（S,Se）4and related photovoltaic semiconductors

刘定荣，韩丹，黄梦麟，张弦，张涛，戴称民，陈时友

Chinese Physics B

2018

Intrinsic Instability of the Hybrid Halide Perovskite Semiconductor CH3NH3PbI3

张越宇，陈时友，许朋，向红军，龚新高，Aron Walsh，魏苏淮

Chinese Physics Letters

2018

First-principles study on the alkali chalcogenide secondary compounds in Cu（In,Ga）Se2and Cu2ZnSn（S,Se）4thin film solar cells

Xian Zhang, Dan Han, Shiyou Chen, Chungang Duan, Junhao Chu

Journal of Energy Chemistry

2017

Calculation studies on point defects in perovskite solar cells

Dan Han, Chenmin Dai, Shiyou Chen

Journal of Semiconductors

2011

Cu2ZnSnS4类四元硫族半导体的理论研究——以二元、三元、四元半导体的演化为思路

陈时友，龚新高，Aron Walsh，魏苏淮

《物理》

2009

多元半导体及其合金的第一性原理计算研究

陈时友

《复旦大学》

会议论文

2023

基于非绝热分子动力学等方法计算光伏半导体中非平衡载流子寿命（英文）

陈时友

《第十届新型太阳能材料科学与技术学术研讨会论文集》

DOI

2022

富Se环境下Sb 2 Se 3 薄膜中Se空位越多：半导体的反常缺陷关联效应

陈时友

《第九届新型太阳能材料科学与技术学术研讨会论文集》

DOI

2020

Defects in S b 2S 3 and Sb 2 Se 3

陈时友

《第七届新型太阳能电池材料科学与技术学术研讨会》

DOI

2020

Origin of Band-Tail and Deep-Donor States in Cu 2 ZnSnS 4 Solar Cells and Their Suppression through Sn-Poor Composition

Lin Sun, Fangyu Yue, Shiyou Chen

《第七届新型太阳能电池材料科学与技术学术研讨会》

DOI

2020

Defect control for 12.5% efficiency Cu 2 ZnSnSe 4 kesterite thin-film solar cells by engineering of local chemical environment

Jianjun Li, Yaohua Mai, Shiyou Chen, Xiaojing Hao, Martin A.Green

《第七届新型太阳能电池材料科学与技术学术研讨会论文集》

DOI

2017

Na-Diffusion Enhanced p-type Conductivity in Cu（In,Ga）Se 2

陈时友，袁振坤，龚新高，魏苏淮

《第四届新型太阳能电池学术研讨会》

2016

如何提高Cu 2 ZnSn（S,Se） 4 电池开路电压（英文）

袁振坤，陈时友，向红军，龚新高，Aron Walsh，Ji-Sang Park，Ingrid Repins，魏苏淮

《第三届新型太阳能电池学术研讨会论文集》

2016

硒化锑薄膜太阳能电池研究进展

唐江，陈超，刘新胜，陈时友，王亮，李登兵，李康华

《第三届新型太阳能电池学术研讨会》

2014

Electronic band structure and band alignment of ABX3 halide perovskites:chemical trends from first-principles calculation

陈时友，郎力，许鹏，张越宇，向红军，龚新高

《第一届新型太阳能电池暨钙钛矿太阳能电池学术研讨会论文集》

预印本

2026

Nonradiative Multiphonon Model of Deep-Level Transient Spectroscopy: Beyond Henry-Lang Model

Menglin Huang, Shanshan Wang, Junjie Zhou, Xinjing Guo, Shiyou Chen

arXiv preprint

2026

Machine learning Hamiltonian enables scalable and accurate defect calculations: The case of oxygen vacancies in amorphous SiO$_2$

Zhenxing Dai, Zhong Yang, Mingjue Ni, Menglin Huang, Hongjun Xiang, Xin-Gao Gong, Shiyou Chen

arXiv preprint

2026

A wrong ground-state structure of HfO$_2$ predicted by machine-learning interatomic potentials based on the PBE functional

Shuqi Tang, Jinchen Wei, Kang Wang, Junjie Zhou, Yihan Zhang, Menglin Huang, Shiyou Chen

arXiv preprint

2026

Substitutional platinum as an efficient nonradiative recombination center in silicon

Zhenxing Dai, Menglin Huang, Xin-Gao Gong, Shiyou Chen

arXiv preprint

2026

RASP: Reliability ab initio simulation package of MOSFETs based on all-state model

Xinjing Guo, Menglin Huang, Shiyou Chen

arXiv preprint

2026

Small-supercell and Small-dataset Training Strategy of Machine Learning Interatomic Potentials for Point Defects

Zhenxing Dai, Mingjue Ni, Xinpeng Li, Menglin Huang, Anderson Janotti, Shiyou Chen

arXiv preprint

2026

Carrier Capture at Defects from Finite-Temperature Lattice Dynamics

Menglin Huang, Shanshan Wang, Shiyou Chen

arXiv preprint

2026

Predicting large-supercell defect formation energies from machine-learning charge density models trained on small supercells

Junjie Zhou, Menglin Huang, Shiyou Chen

arXiv preprint

2026

Symmetry Adapted Analysis of Screw Dislocation: Electronic Structure and Carrier Recombination Mechanisms in GaN

Yuncheng Xie, Haozhe Shi, Menglin Huang, Weibin Chu, Shiyou Chen, Xin-Gao Gong

arXiv preprint

2025

Carrier Emission and Capture Competition mediated A(n)BC Recombination Model in Semiconductors with Multi-Level Defects

Shanshan Wang, Menglin Huang, Su-Huai Wei, Xin-Gao Gong, Shiyou Chen

arXiv preprint

2025

Defect Phonon Renormalization during Nonradiative Multiphonon Transitions in Semiconductors

Junjie Zhou, Shanshan Wang, Menglin Huang, Xin-Gao Gong, Shiyou Chen

arXiv preprint

2025

"One defect, one potential" strategy for accurate machine learning prediction of defect phonons

Junjie Zhou, Xinpeng Li, Menglin Huang, Shiyou Chen

arXiv preprint

DOI

2025

Electroluminescence of NV Color Centers in Diamond p-i-n Diodes mediated by Charge-state Dynamics

Ruirong Bai, Menglin Huang, Shanshan Wang, Shiyou Chen, Yu-Ning Wu

arXiv preprint

2024

Si/SiO$_\text{2}$ MOSFET Reliability Physics: From Four-State Model to All-State Model

Xinjing Guo, Menglin Huang, Shiyou Chen

arXiv preprint

2023

Transferable Machine Learning Approach for Predicting Electronic Structures of Charged Defects

Yuxing Ma, Yang Zhong, Yu Hongyu, Shiyou Chen, Hongjun Xiang

arXiv preprint

2023

Metastability and anharmonicity enhance defect-assisted nonradiative recombination in low-symmetry semiconductors

Menglin Huang, Shanshan Wang, Shiyou Chen

arXiv preprint

2023

Defect Regulation by Palladium Incorporation towards Grain Boundaries of Kesterite solar cells

Jinlin Wang, Jiangjian Shi, Kang Yin, Fanqi Meng, Shanshan Wang, Licheng Lou, Jiazheng Zhou, Xiao Xu, Huijue Wu, Yanhong Luo, Dongmei Li, Shiyou Chen, Qingbo Meng

arXiv preprint

DOI

2022

Effective Lifetime of Non-Equilibrium Carriers in Semiconductors from Non-Adiabatic Molecular Dynamics Simulations

Shanshan Wang, Menglin Huang, Yu-Ning Wu, Weibin Chu, Jin Zhao, Aron Walsh, Xin-Gao Gong, Su-Huai Wei, Shiyou Chen

arXiv preprint

DOI

2022

Capturing long-range interaction with reciprocal space neural network

Hongyu Yu, Liangliang Hong, Shiyou Chen, Xingao Gong, Hongjun Xiang

arXiv preprint

2021

A Generalized Tunneling Current Formula for Metal/Insulator Heterojunctions under Large Bias and Finite Temperature

Zenghua Cai, Menglin Huang, Peng Zhou, Shiyou Chen

arXiv preprint

2019

Impact of Metal ns2 Lone Pair on Luminescence Efficiency in Low-Dimensional Halide Perovskites

Hongliang Shi, Dan Han, Shiyou Chen, Mao-Hua Du

arXiv preprint

DOI

2014

Self-regulation mechanism for charged point defects in hybrid halide perovskites

Aron Walsh, David O. Scanlon, Shiyou Chen, Xingao Gong, Su-Huai Wei

arXiv preprint

DOI

2013

Prediction of (TiO2)x(Cu2O)y Alloys for Photoelectrochemical Water Splitting

Heng-Rui Liu, Ji-Hui Yang, Yue-Yu Zhang, Shiyou Chen, Aron Walsh, Hongjun Xiang, Xingao Gong, Su-Huai Wei

arXiv preprint

DOI

2012

Thermodynamic Oxidation and Reduction Potentials of Photocatalytic Semiconductors in Aqueous Solution

Shiyou Chen, Lin-Wang Wang

arXiv preprint

2012

First-principles study on the effective masses of zinc-blend-derived Cu_2Zn-IV-VI_4 (IV = Sn, Ge, Si and VI = S, Se)

Heng-Rui Liu, Shiyou Chen, Ying-Teng Zhai, H. J. Xiang, X. G. Gong, Su-Huai Wei

arXiv preprint

DOI

2011

Intrinsic Defects and Electronic Conductivity of TaON: First-Principles Insights

Shiyou Chen, Lin-Wang Wang

arXiv preprint

DOI

2011

Band Structure Engineering of Multinary Chalcogenide Topological Insulators

Shiyou Chen, X. G. Gong, Chun-Gang Duan, Zi-Qiang Zhu, Jun-Hao Chu, Aron Walsh, Yu-Gui Yao, Jie Ma, Su-Huai Wei

arXiv preprint

DOI

2011

Quantum Effects of Strain Influence on the Doping Energy in Semiconductors

Z. T. Wang, Shiyou Chen, X. M. Duan, D. Y. Sun, X. G. Gong

arXiv preprint

2009

Alloy Stabilized Wurtzite Ground State Structures of Zinc-Blende Semiconducting Compounds

H. J. Xiang, Su-Huai Wei, Shiyou Chen, X. G. Gong

arXiv preprint

DOI

精选作品

期刊论文

A compact bias-dependent body resistance model for partially depleted silicon-on-insulator MOSFETs

Unraveling the Photoexcited Dual-Threshold Phase Transitions in Niobium Dioxide

Novel ferroelectric structures of Al1-xScxN with low polarization switching barriers and large spontaneous polarization

Defect physics of the quasi-two-dimensional photovoltaic semiconductor GeSe

DASP: Defect and Dopant ab-initio Simulation Package

First-principles exploration of defect-pairs in GaN

Earth-abundant photovoltaic semiconductor NaSbS2in the rocksalt-derived structure:A first-principles study

Theoretical study on the kesterite solar cells based on Cu2ZnSn（S,Se）4and related photovoltaic semiconductors

Intrinsic Instability of the Hybrid Halide Perovskite Semiconductor CH3NH3PbI3

First-principles study on the alkali chalcogenide secondary compounds in Cu（In,Ga）Se2and Cu2ZnSn（S,Se）4thin film solar cells

Calculation studies on point defects in perovskite solar cells

Cu2ZnSnS4类四元硫族半导体的理论研究——以二元、三元、四元半导体的演化为思路

多元半导体及其合金的第一性原理计算研究

会议论文

基于非绝热分子动力学等方法计算光伏半导体中非平衡载流子寿命（英文）

富Se环境下Sb 2 Se 3 薄膜中Se空位越多：半导体的反常缺陷关联效应

Defects in S b 2S 3 and Sb 2 Se 3

Origin of Band-Tail and Deep-Donor States in Cu 2 ZnSnS 4 Solar Cells and Their Suppression through Sn-Poor Composition

Defect control for 12.5% efficiency Cu 2 ZnSnSe 4 kesterite thin-film solar cells by engineering of local chemical environment

Na-Diffusion Enhanced p-type Conductivity in Cu（In,Ga）Se 2

如何提高Cu 2 ZnSn（S,Se） 4 电池开路电压（英文）

硒化锑薄膜太阳能电池研究进展

Electronic band structure and band alignment of ABX3 halide perovskites:chemical trends from first-principles calculation

预印本

Nonradiative Multiphonon Model of Deep-Level Transient Spectroscopy: Beyond Henry-Lang Model

Machine learning Hamiltonian enables scalable and accurate defect calculations: The case of oxygen vacancies in amorphous SiO$_2$

A wrong ground-state structure of HfO$_2$ predicted by machine-learning interatomic potentials based on the PBE functional

Substitutional platinum as an efficient nonradiative recombination center in silicon

RASP: Reliability ab initio simulation package of MOSFETs based on all-state model

Small-supercell and Small-dataset Training Strategy of Machine Learning Interatomic Potentials for Point Defects

Carrier Capture at Defects from Finite-Temperature Lattice Dynamics

Predicting large-supercell defect formation energies from machine-learning charge density models trained on small supercells

Symmetry Adapted Analysis of Screw Dislocation: Electronic Structure and Carrier Recombination Mechanisms in GaN

Carrier Emission and Capture Competition mediated A(n)BC Recombination Model in Semiconductors with Multi-Level Defects

Defect Phonon Renormalization during Nonradiative Multiphonon Transitions in Semiconductors

"One defect, one potential" strategy for accurate machine learning prediction of defect phonons

Electroluminescence of NV Color Centers in Diamond p-i-n Diodes mediated by Charge-state Dynamics

Si/SiO$_\text{2}$ MOSFET Reliability Physics: From Four-State Model to All-State Model

Transferable Machine Learning Approach for Predicting Electronic Structures of Charged Defects

Metastability and anharmonicity enhance defect-assisted nonradiative recombination in low-symmetry semiconductors

Defect Regulation by Palladium Incorporation towards Grain Boundaries of Kesterite solar cells

Effective Lifetime of Non-Equilibrium Carriers in Semiconductors from Non-Adiabatic Molecular Dynamics Simulations

Capturing long-range interaction with reciprocal space neural network

A Generalized Tunneling Current Formula for Metal/Insulator Heterojunctions under Large Bias and Finite Temperature

Impact of Metal ns2 Lone Pair on Luminescence Efficiency in Low-Dimensional Halide Perovskites

Self-regulation mechanism for charged point defects in hybrid halide perovskites

Prediction of (TiO2)x(Cu2O)y Alloys for Photoelectrochemical Water Splitting

Thermodynamic Oxidation and Reduction Potentials of Photocatalytic Semiconductors in Aqueous Solution

First-principles study on the effective masses of zinc-blend-derived Cu_2Zn-IV-VI_4 (IV = Sn, Ge, Si and VI = S, Se)

Intrinsic Defects and Electronic Conductivity of TaON: First-Principles Insights

Band Structure Engineering of Multinary Chalcogenide Topological Insulators

Quantum Effects of Strain Influence on the Doping Energy in Semiconductors

Alloy Stabilized Wurtzite Ground State Structures of Zinc-Blende Semiconducting Compounds

研究方向