Xun-Lei Ding (Xun Lei Ding, Xunlei Ding, XunLei Ding)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 22

Top Topics

Density Functional Theory

Gold Nanoparticles

Perovskite Solar Cells

Transition Metal

Top Venues

Physical chemistry chemical physics : PCCP

Chemphyschem : a European journal of chemical physics and physical chemistry

The journal of physical chemistry letters

Journal of molecular modeling

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

Publications

Weijie Yang, Ruiyang Shi, Huan Lu, Kailong Liu, Qingqi Yan, Yang Bai, Xun-Lei Ding, Hao Li, Zhengyang Gao
Revisiting the thermal decomposition mechanism of MAPbI 3 . Physical chemistry chemical physics : PCCP 26 (26) (2024)
Jiao-Jiao Chen, Si-Dun Wang, Xun-Lei Ding, Sheng-Gui He
Role of H 2 O Adsorption in CO Oxidation over Cerium-Oxide Cluster Anions (CeO 2 ) n O - ( n = 1-4). The journal of physical chemistry letters (2024)
Han-Bin He, Xun-Lei Ding, Ya-Ya Wang, Yan Chen, Meng-Meng Wang, Jiao-Jiao Chen, Wei Li
Catalysts with Trimetallic Sites on Graphene-like C 2 N for Electrocatalytic Nitrogen Reduction Reaction: A Theoretical Investigation. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (16) (2024)
Jin-Kun Zeng, Huai-Qian Wang, Hui-Fang Li, Hao Zheng, Jia-Ming Zhang, Xun-Jie Mei, Yong-Hang Zhang, Xun-Lei Ding
Exploring the stability and aromaticity of rare earth doped tin cluster MSn 16 - (M = Sc, Y, La). Physical chemistry chemical physics : PCCP 26 (4) (2024)
Song-Yang Zhang, Xun-Lei Ding, Sheng-Ze Qu
Effect of External Electric Field on Nitrogen Activation on a Trimetal Cluster. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Weijie Yang, Ruiyang Shi, Huan Lu, Kailong Liu, Qingqi Yan, Yang Bai, Xun-Lei Ding, Hao Li, Zhengyang Gao
Revisiting the thermal decomposition mechanism of MAPbI 3 . Physical chemistry chemical physics : PCCP 26 (26) (2024)
Weijie Yang, Ruiyang Shi, Huan Lu, Kailong Liu, Qingqi Yan, Yang Bai, Xun-Lei Ding, Hao Li, Zhengyang Gao
Revisiting the thermal decomposition mechanism of MAPbI 3 . Physical chemistry chemical physics : PCCP (2024)
Han-Bin He, Xun-Lei Ding, Ya-Ya Wang, Yan Chen, Meng-Meng Wang, Jiao-Jiao Chen, Wei Li
Catalysts with Trimetallic Sites on Graphene-like C 2 N for Electrocatalytic Nitrogen Reduction Reaction: A Theoretical Investigation. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Jin-Kun Zeng, Huai-Qian Wang, Hui-Fang Li, Hao Zheng, Jia-Ming Zhang, Xun-Jie Mei, Yong-Hang Zhang, Xun-Lei Ding
Exploring the stability and aromaticity of rare earth doped tin cluster MSn 16 - (M = Sc, Y, La). Physical chemistry chemical physics : PCCP (2024)
Yan Chen, Xun-Lei Ding, Luona Yang, Yaya Wang, Joseph Israel Gurti, Mengmeng Wang, Wei Li, Xin Wang, Weijie Yang
Small practical cluster models for perovskites based on the similarity criterion of central location environment and their applications. Physical chemistry chemical physics : PCCP 24 (23) (2022)
Joseph Israel Gurti, Xun-Lei Ding, Ya-Ya Wang, Yan Chen, Wei Li, Xin Wang
Comparison of Nitrogen Activation on Trinuclear Niobium and Tungsten Sulfide Clusters Nb 3 S n and W 3 S n (n=0-3): A DFT Study. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (14) (2022)
Ya-Ya Wang, Xun-Lei Ding, Yan Chen, Meng-Meng Wang, Wei Li, Xin Wang
Trimetallic clusters in the sumanene bowl for dinitrogen activation. Physical chemistry chemical physics : PCCP 24 (38) (2022)
Zhengyang Gao, Guangyang Mao, Shengyi Chen, Yang Bai, Peng Gao, Chongchong Wu, Ian D Gates, Weijie Yang, Xun-Lei Ding, Jianxi Yao
High throughput screening of promising lead-free inorganic halide double perovskites via first-principles calculations. Physical chemistry chemical physics : PCCP 24 (5) (2022)
Xiaoshuo Liu, Yang Bai, Shengyi Chen, Chongchong Wu, Ian D Gates, Tianfang Huang, Wei Li, Weijie Yang, Zhengyang Gao, Jianxi Yao, Xun-Lei Ding
A descriptor for the structural stability of organic-inorganic hybrid perovskites based on binding mechanism in electronic structure. Journal of molecular modeling 28 (4) (2022)
Ya-Ya Wang, Xun-Lei Ding, Joseph Israel Gurti, Yan Chen, Wei Li, Xin Wang, Wen-Jie Wang, Jia-Jun Deng
Non-Dissociative Activation of Chemisorbed Dinitrogen on One or Two Vanadium Atoms Supported by a Mo6 S8 Cluster. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (15) (2021)
Ya-Ya Wang, Xun-Lei Ding, Joseph Israel Gurti, Yan Chen, Xue-Qian Huang, Wei Li, Xin Wang
Facile N≡N Bond Cleavage by Anionic Trimetallic Clusters V3-x Tax C4 - (x=0-3): A DFT Study. Chemphyschem : a European journal of chemical physics and physical chemistry (2021)
Wenwen Yao, Zhilin Kang, Jiajun Deng, Yan Chen, Qian Song, Xun-Lei Ding, Fangchao Lu, Wenjie Wang
Synthesis of 2D MoS 2(1- x ) Se 2 x semiconductor alloy by chemical vapor deposition. RSC advances 10 (69) (2020)
Wei Li, Xiao-Nan Wu, Zizhuang Liu, Hechen Wu, Di Zhang, Xun-Lei Ding
C/C Exchange in Activation/Coupling Reaction of Acetylene and Methane Mediated by Os+: A Comparison with Ir+, Pt+, and Au. The journal of physical chemistry letters 11 (19) (2020)
Weijie Yang, Hanyu Huang, Xiaoshuo Liu, Jianuo Ren, Kai Ma, Zhuohong Pan, Zhao Ding, Xun-Lei Ding, Zhengyang Gao
Screening the activity of single-atom catalysts for the catalytic oxidation of sulfur dioxide with a kinetic activity model. Chemical communications (Cambridge, England) 56 (78) (2020)
Xun-Lei Ding, Heng-Lu Liao, Yan Zhang, Yi-Ming Chen, Dan Wang, Ya-Ya Wang, Hua-Yong Zhang
Geometric and electronic properties of gold clusters doped with a single oxygen atom. Physical chemistry chemical physics : PCCP 18 (41) (2018)
Zhaoxu Wang, Yi Liu, Baishu Zheng, Fengxiang Zhou, Yinchun Jiao, Yuan Liu, Xun-Lei Ding, Tian Lu
A theoretical investigation on Cu/Ag/Au bonding in XH2P⋯MY(X = H, CH3, F, CN, NO2; M = Cu, Ag, Au; Y = F, Cl, Br, I) complexes. The Journal of chemical physics 148 (19) (2018)
Yan Zhang, Zi-Yu Li, Yan-Xia Zhao, Hai-Fang Li, Xun-Lei Ding, Hua-Yong Zhang, Sheng-Gui He
H2 Oxidation Mediated by Au1-Doped Vanadium Oxide Cluster Cation AuV2O5+: A Comparative Study with AuCe2O4. The journal of physical chemistry. A 121 (21) (2017)