Qunxiang Li

About Qunxiang Li

Qunxiang Li, With an exceptional h-index of 44 and a recent h-index of 29 (since 2020), a distinguished researcher at University of Science and Technology of China, specializes in the field of Theoretical and computational chemistry, Density functional theory, Single-molecule science, Molecular electronics, Computational Materials Science.

His recent articles reflect a diverse array of research interests and contributions to the field:

High-Throughput Computational Screening of Novel Two-Dimensional Covalent Organic Frameworks for Efficient Photocatalytic Overall Water Splitting

Photoexcitation-induced spin dynamics in 1T-VSe2 investigated by ab initio nonadiabatic molecular dynamics

Excitonic Effects of the Excited-State Photocatalytic Reaction at the Molecule/Metal Oxide Interface

A stabilization rule for metal carbido cluster bearing μ3-carbido single-atom-ligand encapsulated in carbon cage

Data-Driven Discovery of a Covalent Organic Framework Heterojunction as Efficient Photocatalysts for Overall Solar Water Splitting

High thermoelectric figure of merit in rhombic porous carbon nitride nanoribbons

Disorder effects on the quasiparticle and transport properties of two-dimensional Dirac fermionic systems

Two-dimensional superhard silicon nitrides with widely tunable bandgap, high carrier mobility and hole-doping-induced robust magnetism

Qunxiang Li Information

University

Position

Professor of Chemical Physics

Citations(all)

7975

Citations(since 2020)

3490

Cited By

6001

hIndex(all)

44

hIndex(since 2020)

29

i10Index(all)

100

i10Index(since 2020)

68

Email

University Profile Page

University of Science and Technology of China

Google Scholar

View Google Scholar Profile

Qunxiang Li Skills & Research Interests

Theoretical and computational chemistry

Density functional theory

Single-molecule science

Molecular electronics

Computational Materials Science

Top articles of Qunxiang Li

Title

Journal

Author(s)

Publication Date

High-Throughput Computational Screening of Novel Two-Dimensional Covalent Organic Frameworks for Efficient Photocatalytic Overall Water Splitting

The Journal of Physical Chemistry Letters

Li Sheng

Weiyi Wang

Jiajun Wang

Wenhua Zhang

Qunxiang Li

...

2024/5/2

Photoexcitation-induced spin dynamics in 1T-VSe2 investigated by ab initio nonadiabatic molecular dynamics

Science China Materials

Linjie Chen

Zhenfa Zheng

Qijing Zheng

Qunxiang Li

Jin Zhao

2024/3/15

Excitonic Effects of the Excited-State Photocatalytic Reaction at the Molecule/Metal Oxide Interface

The Journal of Physical Chemistry Letters

Lei Wang

Xiaofeng Liu

Lingyun Wan

Yunzhi Gao

Xiaoning Wang

...

2024/2/15

A stabilization rule for metal carbido cluster bearing μ3-carbido single-atom-ligand encapsulated in carbon cage

Nature Communications

Runnan Guan

Jing Huang

Jinpeng Xin

Muqing Chen

Pingwu Du

...

2024/1/2

Data-Driven Discovery of a Covalent Organic Framework Heterojunction as Efficient Photocatalysts for Overall Solar Water Splitting

The Journal of Physical Chemistry Letters

Li Sheng

Jiajun Wang

Wenhua Zhang

Qunxiang Li

Jinlong Yang

2023/10/8

High thermoelectric figure of merit in rhombic porous carbon nitride nanoribbons

Journal of the Chinese Chemical Society

Weiyi Wang

Qunxiang Li

Jinlong Yang

2023/3

Disorder effects on the quasiparticle and transport properties of two-dimensional Dirac fermionic systems

Physical Review B

Bo Fu

Yanru Chen

Weiwei Chen

Wei Zhu

Ping Cui

...

2023/8/22

Two-dimensional superhard silicon nitrides with widely tunable bandgap, high carrier mobility and hole-doping-induced robust magnetism

Nanoscale

Shengqian Ma

Jiaxin Jiang

Lanlan Zou

Jiaqi Lin

Ning Lu

...

2023

Gate-Tunable Spin Seebeck Effect and Pure Spin Current Generation in Molecular Junctions Based on Bipolar Magnetic Molecules

Nano Letters

Yujie Hu

Shanshan Liu

Jing Huang

Xingxing Li

Qunxiang Li

2023/8/21

Exclusive Co‐N4 Sites Confined in Two‐dimensional Metal‐Organic Layers Enabling Highly Selective CO2 Electroreduction at Industrial‐Level Current

Angewandte Chemie International Edition

Wenjun Zhang

Shanshan Liu

Yue Yang

Haifeng Qi

Shibo Xi

...

2023/6/5

Hydrogen anion as a strong magnetic mediator for obtaining high-temperature ferromagnetic semiconductors: The case of hydride double perovskites

Physical Review B

Chao Jia

Xingxing Li

Qunxiang Li

Jinlong Yang

2023/4/6

Bipolar Rashba Semiconductors: A Class of Nonmagnetic Materials for Electrical Spin Manipulation

The Journal of Physical Chemistry Letters

Xiaomin Fu

Chao Jia

Li Sheng

Qunxiang Li

Jinlong Yang

...

2023/12/8

Self-limited embedding alternating 585-ringed divacancies and metal atoms into graphene nanoribbons

Journal of the American Chemical Society

Zhengya Wang

Ruoting Yin

Jie Meng

Jianing Wang

Yifan Liang

...

2023/4/4

Thgraphene: a novel two-dimensional carbon allotrope as a potential multifunctional material for electrochemical water splitting and potassium-ion batteries

Journal of Materials Chemistry A

Weiyi Wang

Jie Meng

Yujie Hu

Jiajun Wang

Qunxiang Li

...

2022

Theoretical insights into the diverse and tunable charge transport behavior of stilbene-based single-molecule junctions

Chemical Physics

Ke Xu

Guolin Yi

Weiyi Wang

Jiajun Wang

Cong Wang

...

2022/4/1

β-SnS/GaSe heterostructure: a promising solar-driven photocatalyst with low carrier recombination for overall water splitting

Journal of Materials Chemistry A

Jie Meng

Jiajun Wang

Jianing Wang

Qunxiang Li

Jinlong Yang

2022

C7N6/Sc2CCl2 Weak van der Waals Heterostructure: A Promising Visible-Light-Driven Z-Scheme Water Splitting Photocatalyst with Interface Ultrafast Carrier …

The Journal of Physical Chemistry Letters

Jie Meng

Jiajun Wang

Jianing Wang

Qunxiang Li

Jinlong Yang

2022/2/7

Self-driven carbon atom implantation into fullerene embedding metal–carbon cluster

Proceedings of the National Academy of Sciences

Runnan Guan

Zuo-Chang Chen

Jing Huang

Han-Rui Tian

Jinpeng Xin

...

2022/9/27

Nickel dual-atom catalysts for the selective electrocatalytic debromination of tribromoacetic acid as a green chemistry process

Chemical Engineering Journal

Bo Yang

Hongbo Li

Zhirong Zhang

Ke Xiao

Mengting Yang

...

2022/1/1

Tuning the spin caloritronic transport properties of InSe monolayers via transition metal doping

New Journal of Chemistry

Jing Huang

Ying Zhu

Rong Xie

Yujie Hu

Shujuan Li

...

2022

See List of Professors in Qunxiang Li University(University of Science and Technology of China)

Co-Authors

H-index: 176
Shu-Hong Yu

Shu-Hong Yu

University of Science and Technology of China

H-index: 116
Zhen Zhou

Zhen Zhou

Nankai University

H-index: 114
Jinlong Yang

Jinlong Yang

University of Science and Technology of China

H-index: 112
Xiaojun Wu

Xiaojun Wu

University of Science and Technology of China

H-index: 94
Zhongfang Chen

Zhongfang Chen

Universidad de Puerto Rico

H-index: 92
Luo Yi - KTH

Luo Yi - KTH

Kungliga Tekniska högskolan

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