孙庆德｜长沙理工大学｜学者主页

2026

Termination-determined defect tolerance in CsPbI3: a first-principles guide for surface defect engineering

Yuan Yin, Xiaoyao Shen, Qingde Sun, Hua Yang, Yingying Cao

Computational Materials Science

DOI

2024

Theoretical exploration of band gap error dependency on band gap size in density functional theory Calculations: CdTe and GeTe as representative cases of two band structure semiconductor types

Qingde Sun, Yuan Yin

Computational Materials Science

DOI

2023

Direct Observation of Group-V Dopant Substitutional Defects in CdTe Single Crystals

Akira Nagaoka, Koji Kimura, Artoni Kevin R. Ang, Yasuhiro Takabayashi, Kenji Yoshino, Qingde Sun, Baoying Dou, Su‐Huai Wei, Kôichi Hayashi, Kensuke Nishioka

Journal of the American Chemical Society

DOI

2022

Unique Photoelectric Properties and Defect Tolerance of Lead-Free Perovskite Cs3Cu2I5 with Highly Efficient Blue Emission

Yuan Yin, Yu Wang, Qingde Sun, Ying Yang, Yifei Wang, Zhiyong Yang, Wan‐Jian Yin

The Journal of Physical Chemistry Letters

DOI

2022

Hydrogenated Cs2AgBiBr6 for significantly improved efficiency of lead-free inorganic double perovskite solar cell

Ze-Yu Zhang, Qingde Sun, Yue Lu, Feng Lu, Xulin Mu, Suhuai Wei, Man-Ling Sui

Nature Communications

DOI

2021

密度泛函理论计算半导体材料的带隙误差研究

张泽群，孙庆德

《济南大学学报(自然科学版)》

DOI

2021

Effects of co-doping in semiconductors: CdTe

B. Dou, Qingde Sun, Suhuai Wei

Physical review B

DOI

2021

Optimization of Doping CdTe with Group-V Elements: A First-Principles Study

B. Dou, Qingde Sun, Suhuai Wei

DOI

2020

Simple descriptor derived from symbolic regression accelerating the discovery of new perovskite catalysts

Bai-Cheng Weng, Zhi-Long Song, Rilong Zhu, Q. Yan, Qingde Sun, Corey G. Grice, Yan-Fa Yan, W. Yin

Nature Communications

DOI

2020

Searching for stable perovskite solar cell materials using materials genome techniques and high-throughput calculations

Qingde Sun, W. Yin, Suhuai Wei

DOI

2019

Oxide perovskites, double perovskites and derivatives for electrocatalysis, photocatalysis, and photovoltaics

W. Yin, Bai-Cheng Weng, Jie Ge, Qingde Sun, Zhen-Zhu Li, Yan-Fa Yan

Energy & Environmental Science

DOI

2019

Thermodynamic Stability Landscape of Halide Double Perovskites via High‐Throughput Computing and Machine Learning

Zhen-Zhu Li, Qichen Xu, Qingde Sun, Z. Hou, W. Yin

Advanced Functional Materials

DOI

2019

Symbolic Regression Discovery of New Perovskite Catalysts with High Oxygen Evolution Reaction Activity

Bai-Cheng Weng, Zhi-Long Song, Rilong Zhu, Q. Yan, Qingde Sun, Corey G. Grice, Yan-Fa Yan, W. Yin

2019

Disparity of Bandgap Nature Between Halide and Chalcogenide Single Perovskites for Solar Cell Absorbers.

Yujie Peng, Qingde Sun, Hangyan Chen, W. Yin

Journal of Physical Chemistry Letters

DOI

2018

新型稳定钙钛矿太阳能吸收材料的理论探索

孙庆德

《苏州大学》

2018

Stability Engineering of Halide Perovskite via Machine Learning

Zhen-Zhu Li, Qichen Xu, Qingde Sun, Z. Hou, W. Yin

2018

Bandgap Engineering of Stable Lead‐Free Oxide Double Perovskites for Photovoltaics

Qingde Sun, Jing Wang, W. Yin, Yan-Fa Yan

Advances in Materials

DOI

2018

Do Chalcogenide Double Perovskites Work as Solar Cell Absorbers: A First-Principles Study

Qingde Sun, Hangyan Chen, W. Yin

Chemistry of Materials

DOI

2017

卤化钙钛矿太阳能电池材料理论研究进展

黄杨，孙庆德，徐文，何垚，尹万健

《物理化学学报》

2017

Thermodynamic Stability Trend of Cubic Perovskites.

Qingde Sun, W. Yin

Journal of the American Chemical Society

DOI

孙庆德

精选作品

期刊论文

Termination-determined defect tolerance in CsPbI3: a first-principles guide for surface defect engineering

Theoretical exploration of band gap error dependency on band gap size in density functional theory Calculations: CdTe and GeTe as representative cases of two band structure semiconductor types

Direct Observation of Group-V Dopant Substitutional Defects in CdTe Single Crystals

Unique Photoelectric Properties and Defect Tolerance of Lead-Free Perovskite Cs3Cu2I5 with Highly Efficient Blue Emission

Hydrogenated Cs2AgBiBr6 for significantly improved efficiency of lead-free inorganic double perovskite solar cell

密度泛函理论计算半导体材料的带隙误差研究

Effects of co-doping in semiconductors: CdTe

Optimization of Doping CdTe with Group-V Elements: A First-Principles Study

Simple descriptor derived from symbolic regression accelerating the discovery of new perovskite catalysts

Searching for stable perovskite solar cell materials using materials genome techniques and high-throughput calculations

Oxide perovskites, double perovskites and derivatives for electrocatalysis, photocatalysis, and photovoltaics

Thermodynamic Stability Landscape of Halide Double Perovskites via High‐Throughput Computing and Machine Learning

Symbolic Regression Discovery of New Perovskite Catalysts with High Oxygen Evolution Reaction Activity

Disparity of Bandgap Nature Between Halide and Chalcogenide Single Perovskites for Solar Cell Absorbers.

新型稳定钙钛矿太阳能吸收材料的理论探索

Stability Engineering of Halide Perovskite via Machine Learning

Bandgap Engineering of Stable Lead‐Free Oxide Double Perovskites for Photovoltaics

Do Chalcogenide Double Perovskites Work as Solar Cell Absorbers: A First-Principles Study

卤化钙钛矿太阳能电池材料理论研究进展

Thermodynamic Stability Trend of Cubic Perovskites.

研究方向