Rui-Qin Zhang (Ruiqin Zhang)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 41

Top Topics

Density Functional Theory

Walled Carbon Nanotubes

Highly Efficient

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

The Journal of chemical physics

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Qi Zhao, Yuewen Yang, Guanghui Xiong, Jianwei Chen, Tao Xu, Qunjie Xu, Rui-Qin Zhang, Weifeng Yao, Hexing Li, Chun-Sing Lee
Calcium Single Atom Confined in Nitrogen-Doped Carbon-Coupled Polyvinylidene Fluoride Membrane for High-Performance Piezocatalysis. Journal of the American Chemical Society (2024)
Yifan Sui, Xiaohu Sun, Jie Guan, Zeqiu Chen, Xinjie Zhu, Xiaoyi Lou, Xiuli Li, Jiaowen Shen, Xiaomei Liu, Xiaojiao Zhang, Yaoguang Guo, Gangfeng Zhang, Rui-Qin Zhang
Kill two birds with one stone: simultaneous removal of volatile organic compounds and ozone secondary pollution by a novel photocatalytic process. RSC advances 14 (21) (2024)
Yimin Yang, Rui-Qin Zhang, Zijing Lin
Enhancing protein-ligand binding affinity prediction through sequential fusion of graph and convolutional neural networks. Journal of computational chemistry (2024)
Yifan Sui, Xiaohu Sun, Jie Guan, Zeqiu Chen, Xinjie Zhu, Xiaoyi Lou, Xiuli Li, Jiaowen Shen, Xiaomei Liu, Xiaojiao Zhang, Yaoguang Guo, Gangfeng Zhang, Rui-Qin Zhang
Kill two birds with one stone: simultaneous removal of volatile organic compounds and ozone secondary pollution by a novel photocatalytic process. RSC advances 14 (21) (2024)
Linping Hu, Yanoar Pribadi Sarwono, Yonglong Ding, Fang He, Rui-Qin Zhang
An improved DIIS method using a versatile residual matrix to accelerate SCF starting from a crude guess. Journal of computational chemistry (2024)
Zheng Liu, Yang Gao, Famin Yu, Zhonghua Liu, Jiarui Li, Rui-Qin Zhang, Yan Xue, Zhigang Wang
Self-isomerization of nearly planar superatoms formed by actinide embedded gold clusters. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Jialu Chen, Wenjun Xu, Rui-Qin Zhang
Optimization of chemical synthesis with heuristic algorithms. Physical chemistry chemical physics : PCCP (2023)
Yanoar Pribadi Sarwono, Rui-Qin Zhang
Higher-order Rayleigh-quotient gradient effect on electron correlations. The Journal of chemical physics 158 (13) (2023)
Jialu Chen, Wenjun Xu, Rui-Qin Zhang
Optimization of chemical synthesis with heuristic algorithms. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Zheng Liu, Yang Gao, Famin Yu, Zhonghua Liu, Jiarui Li, Rui-Qin Zhang, Yan Xue, Zhigang Wang
Self-isomerization of nearly planar superatoms formed by actinide embedded gold clusters. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Jialu Chen, Wenjun Xu, Rui-Qin Zhang
Optimization of chemical synthesis with heuristic algorithms. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Wenjun Xu, Yan-Ling Zhao, Jialu Chen, Zhongyu Wan, Dadong Yan, Xinghua Zhang, Rui-Qin Zhang
A Q-learning method based on coarse-to-fine potential energy surface for locating transition state and reaction pathway. Journal of computational chemistry (2023)
Zheng Liu, Yang Gao, Famin Yu, Zhonghua Liu, Jiarui Li, Rui-Qin Zhang, Yan Xue, Zhigang Wang
Self-isomerization of nearly planar superatoms formed by actinide embedded gold clusters. Physical chemistry chemical physics : PCCP (2023)
Jialu Chen, Rui-Qin Zhang
Correction to "Volcano Plots of Reaction Yields in Cross-Coupling Catalysis". The journal of physical chemistry letters 13 (24) (2022)
Shunwei Chen, Xiaoyu Miao, Huanyi Zhou, Cunjin Peng, Rui-Qin Zhang, Xiujun Han
Steric Hindrance Governs the Photoinduced Structural Planarization of Cycloparaphenylene Materials. The journal of physical chemistry. A 126 (41) (2022)
Haoran Tian, Yanling Zhao, May Thawda Oo, Fei Huang, Miaoyan Huang, Wei Xiong, Yaoguang Yu, Rui-Qin Zhang
Charge Transfer Doping of Carbon Nitride Films through Noncovalent Iodination for Enhanced Photoelectrochemical Performance: Combined Experimental and Computational Insights. Small (Weinheim an der Bergstrasse, Germany) 18 (46) (2022)
Jialu Chen, Rui-Qin Zhang
Volcano Plots of Reaction Yields in Cross-Coupling Catalysis. The journal of physical chemistry letters 13 (2) (2022)
Yan-Ling Zhao, Wanxing Lin, Kulpavee Jitapunkul, Rundong Zhao, Rui-Qin Zhang, Michel A Van Hove
Surface-Mounted Dipolar Molecular Rotors Driven by External Electric Field, As Revealed by Torque Analyses. ACS omega 7 (39) (2022)
Kulpavee Jitapunkul, Yan-Ling Zhao, And Luckhana Lawtrakul, Michel A Van Hove, Rui-Qin Zhang
Rotations of F-ATPase and V-ATPase analyzed by a torque approach. Journal of biomolecular structure & dynamics (2022)
Shunwei Chen, Yuhang Jiang, Shangke Jia, Hao Liu, Guangwei Zhang, Xiujun Han, Rui-Qin Zhang
Revealing the tunability of electronic structures and optical properties of novel SWCNT derivatives, phenine nanotubes. Physical chemistry chemical physics : PCCP 23 (42) (2021)
Naeem Ullah, Shunwei Chen, Rui-Qin Zhang
Adenine ultrafast photorelaxation via electron-driven proton transfer. Physical chemistry chemical physics : PCCP 23 (40) (2021)
Xian-Hu Zha, Xiufang Ma, Shiyu Du, Rui-Qin Zhang, Ran Tao, Jing-Ting Luo, Chen Fu
Role of the A-Element in the Structural, Mechanical, and Electronic Properties of Ti 3 AC 2 MAX Phases. Inorganic chemistry 61 (4) (2021)
Fei Huang, Jiajia Ning, Wei Xiong, Yan-Ling Zhao, Jianjun Tian, Andrey L Rogach, Rui-Qin Zhang
Photoelectrochemical Performance Enhancement of ZnSe Nanorods versus Dots: Combined Experimental and Computational Insights. The journal of physical chemistry letters 11 (24) (2020)
Wenli Zhou, Yanling Zhao, Ensheng Wang, Qingna Li, Sunqi Lou, Jing Wang, Xiaoming Li, Qing Lian, Qingji Xie, Rui-Qin Zhang, Hai-Bo Zeng
Charge Transfer Boosting Moisture Resistance of Seminude Perovskite Nanocrystals via Hierarchical Alumina Modulation. The journal of physical chemistry letters 11 (8) (2020)
Xian-Hu Zha, Pengxiang Xu, Qing Huang, Shiyu Du, Rui-Qin Zhang
Mo 2 B, an MBene member with high electrical and thermal conductivities, and satisfactory performances in lithium ion batteries. Nanoscale advances 2 (1) (2019)
Naeem Ullah, Shunwei Chen, Yan-Ling Zhao, Rui-Qin Zhang
Photoinduced Water-Heptazine Electron-Driven Proton Transfer: Perspective for Water Splitting with g-C3N4. The journal of physical chemistry letters 10 (15) (2019)
Yao Guo, Shunwei Chen, Yaoguang Yu, Haoran Tian, Yan-Ling Zhao, Ji-Chang Ren, Chao Huang, Haidong Bian, Miaoyan Huang, Liang An, Yang Yang Li, Rui-Qin Zhang
Hydrogen-Location-Sensitive Modulation of the Redox Reactivity for Oxygen-Deficient TiO2. Journal of the American Chemical Society 141 (21) (2019)
Shunwei Chen, Yanling Zhao, Rui-Qin Zhang
Formation Mechanism of Atmospheric Ammonium Bisulfate: Hydrogen-Bond-Promoted Nearly Barrierless Reactions of SO3 with NH3 and H2 O. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (8) (2018)
Wei Xiong, Shunwei Chen, Miaoyan Huang, Zhenyu Wang, Zhouguang Lu, Rui-Qin Zhang
Crystal-Face Tailored Graphitic Carbon Nitride Films for High-Performance Photoelectrochemical Cells. ChemSusChem 11 (15) (2018)
Yaoguang Yu, Xu Yang, Yan-Ling Zhao, Xiangbin Zhang, Liang An, Miaoyan Huang, Gang Chen, Rui-Qin Zhang
Engineering the Band Gap States of the Rutile TiO2 (110) Surface by Modulating the Active Heteroatom. Angewandte Chemie (International ed. in English) 57 (28) (2018)
Lei Chen, Fei Qi, Kulpavee Jitapunkul, Yan-Ling Zhao, Rui-Qin Zhang, Michel A Van Hove
Intramolecular Torque Study of a Molecular Rotation Stimulated by Electron Injection and Extraction. The journal of physical chemistry. A 122 (38) (2018)
Shunwei Chen, Naeem Ullah, Rui-Qin Zhang
Exciton Self-Trapping in sp2 Carbon Nanostructures Induced by Edge Ether Groups. The journal of physical chemistry letters 9 (17) (2018)
Pan-Pan Zhou, Shubin Liu, Paul W Ayers, Rui-Qin Zhang
Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation. The Journal of chemical physics 147 (13) (2018)
Rundong Zhao, Rui-Qin Zhang
Beyond the electrostatic model: the significant roles of orbital interaction and the dispersion effect in aqueous-π systems. Physical chemistry chemical physics : PCCP 19 (2) (2018)
Rundong Zhao, Fei Qi, Yan-Ling Zhao, Klaus Eduard Hermann, Rui-Qin Zhang, Michel A Van Hove
Interlocking Molecular Gear Chains Built on Surfaces. The journal of physical chemistry letters 9 (10) (2018)
Rundong Zhao, Yan-Ling Zhao, Fei Qi, Klaus Eduard Hermann, Rui-Qin Zhang, Michel A Van Hove
Interlocking Mechanism between Molecular Gears Attached to Surfaces. ACS nano 12 (3) (2018)
Naeem Ullah, Shunwei Chen, Rui-Qin Zhang
Mechanism of Charge Separation and Frontier Orbital Structure in Graphitic Carbon Nitride and Graphene Quantum Dots. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (19) (2018)
Rundong Zhao, Yanoar Pribadi Sarwono, Rui-Qin Zhang
Tunneling lifetimes of electrons escaping from atoms under a static electric field. The Journal of chemical physics 147 (6) (2018)
Xinlei Li, Jun Ni, Rui-Qin Zhang
A Thermodynamic Model of Diameter- and Temperature-dependent Semiconductor Nanowire Growth. Scientific reports 7 (1) (2017)
Yan-Ling Zhao, Weihua Wang, Fei Qi, Jian-Fu Li, Guowen Kuang, Rui-Qin Zhang, Nian Lin, Michel A Van Hove
Donor/Acceptor Properties of Aromatic Molecules in Complex Metal-Molecule Interfaces. Langmuir : the ACS journal of surfaces and colloids 33 (2) (2017)
Juncao Bian, Chao Huang, Rui-Qin Zhang
Graphitic Carbon Nitride Film: An Emerging Star for Catalytic and Optoelectronic Applications. ChemSusChem 9 (19) (2016)