- [Nature Catalysis] Prof. Haohua Huo published a paper entitled "Enantioselective alkylation of α-amino C(sp3)−H bonds via photoredox and nickel catalysis" 2024-09-02
- [Advanced Energy Materials] Prof. Yong Yang published a paper entitled "Unveiling the Three Stages of Li Plating and Dynamic Evolution Processes in Pouch C/L... 2024-07-05
- [ACIE] Prof. Nanfeng Zheng published a paper entitled "Full Selectivity Control over the Catalytic Hydrogenation of Nitroaromatics into Six Products" 2024-07-05
- [Nature Communications] Prof. Hongliang Zhang published a paper entitled "Dynamic restructuring of nickel sulfides for electrocatalytic hydrogen evolution re... 2024-07-05
- [Nature Catalysis] Prof. Zhiyou Zhou published a paper entitled "Probing electrolyte effects on cation-enhanced CO2 reduction on copper in acidic media" 2024-07-05
- [Nature Nanotechnology] Prof. Xiaoqing Huang published a paper entitled "Regioselective epitaxial growth of metallic heterostructures" 2024-07-05
- [Advanced Materials] Prof. Quanfeng Dong published a paper entitled "Constructing An Interlaced Catalytic Surface Via Fluorine-doped Bimetallic Oxides for Ox... 2024-06-13
- [JCTC] Prof. Binju Wang published a paper entitled "Reshaping the QM Region On-the-Fly: Adaptive-Shape QM/MM Dynamic Simulations of a Hydrated Proton in Bulk... 2024-05-16
- [JACS] Prof. Fengru Fan published a paper entitled "What Elements Really Intercalate into Pd Lattice When Heated in Dimethylformamide?" 2024-05-16
- [ACIE] Prof. Jun Cheng published a paper entitled "Machine Learning Molecular Dynamics Shows Anomalous Entropic Effect on Catalysis via Surface Pre-melting o... 2024-05-11
Title: Enantioselective alkylation of α-amino C(sp3)−H bonds via photoredox and nickel catalysisAuthors: Jian Li, Buqing Cheng, Xiaomin Shu, Zhen Xu, Chengyang Li & Haohua Huo*Abstract: The catalytic enantioselective construction of C(sp3)−C(sp3) bonds remains a substantial challenge in organic synthesis. One particularly promising approach is the use of transition-metal-catalysed C(sp3)−H ...
Title: Unveiling the Three Stages of Li Plating and Dynamic Evolution Processes in Pouch C/LiFePO4 BatteriesAuthors: Ying Lin, Wenxuan Hu, Meifang Ding, Yonggang Hu, Yufan Peng, Jinding Liang, Yimin Wei, Ang Fu, Jianrong Lin, Yong Yang*Abstract: Li plating is widely known as the key factor leading to degradation and safety issues in lithium-ion batteries (LIBs). Herein, the feasibility of monit...
Title: Full Selectivity Control over the Catalytic Hydrogenation of Nitroaromatics into Six ProductsAuthors: Qingyuan Wu, Wang Su, Rui Huang, Hui Shen, Mengfei Qiao, Ruixuan Qin, Nanfeng Zheng*Abstract: A full selectivity control over the catalytic hydrogenation of nitroaromatics leads to the production of six possible products, i.e., nitroso, hydroxylamine, azoxy, azo, hydrazo or aniline compo...
Title: Dynamic restructuring of nickel sulfides for electrocatalytic hydrogen evolution reactionAuthors: Xingyu Ding, Da Liu, Pengju Zhao, Xing Chen, Hongxia Wang, Freddy E. Oropeza*, Giulio Gorni, Mariam Barawi, Miguel García-Tecedor, Víctor A. de la Peña O’Shea, Jan P. Hofmann, Jianfeng Li, Jongkyoung Kim, Seungho Cho, Renbing Wu* & Kelvin H. L. Zhang*Abstract: Transition metal chalcogenides...
Title: Probing electrolyte effects on cation-enhanced CO2 reduction on copper in acidic mediaAuthors: Zhi-Ming Zhang, Tao Wang*, Yu-Chen Cai, Xiao-Yu Li, Jin-Yu Ye, Yao Zhou, Na Tian, Zhi-You Zhou* & Shi-Gang SunAbstract: Tuning the properties of the electric double layer via cations is a recognized approach for improving the efficiency of the CO2 reduction reaction (CO2RR). However, the mechan...
Title: Regioselective epitaxial growth of metallic heterostructuresAuthors: Xuan Huang, Jie Feng, Shengnan Hu, Bingyan Xu, Mingsheng Hao, Xiaozhi Liu, Yan Wen, Dong Su, Yujin Ji, Youyong Li, Yinshi Li, Yucheng Huang, Ting-Shan Chan, Zhiwei Hu, Na Tian, Qi Shao* & Xiaoqing Huang*Abstract: Constructing regioselective architectures in heterostructures is important for many applications; however, t...
Title: Constructing An Interlaced Catalytic Surface Via Fluorine-doped Bimetallic Oxides for Oxygen Electrode Processes in Li–O2 BatteriesAuthors: Zongqiang Sun, Xiaodong Lin, Chutao Wang, Yanyan Tan, Wenjie Dou, Ajuan Hu, Jiaqing Cui, Jingmin Fan, Ruming Yuan, Mingsen Zheng*, Quanfeng Dong*Abstract: Lithium–oxygen (Li–O2) batteries, renowned for their exceptionally high theoretical energy d...
Title: Reshaping the QM Region On-the-Fly: Adaptive-Shape QM/MM Dynamic Simulations of a Hydrated Proton in Bulk WaterAuthors: Shengheng Yan, Binju Wang*, and Hai Lin*Abstract: Adaptive quantum mechanics/molecular mechanics (QM/MM) reclassifies on-the-fly a molecule or molecular fragment as QM or MM during dynamics simulations without abrupt changes in the energy or forces. Notably, the permute...
Title: What Elements Really Intercalate into Pd Lattice When Heated in Dimethylformamide?Authors: Xianmeng Song, Linzhe Lü, Yanyan Jia, Zhiyi Wang, Zi-Ang Nan*, Yu-Hao Hong, Daliang Chen, Qiuyue Zhang, Jiahong Jiang, Yanping Zheng, Jiajia Xu, Zufeng Qiu, Qiaorong Jiang, Yanjie Wang, Qiuxiang Wang, Sheng Dai, Haixin Lin, Zipeng Zhao, Mingshu Chen, Zhaoxiong Xie*, Zhong-Qun Tian, and Feng Ru Fan*...
Title: Machine Learning Molecular Dynamics Shows Anomalous Entropic Effect on Catalysis via Surface Pre-melting of NanoclustersAuthors: Fu-Qiang Gong, Yun-Pei Liu, Ye Wang, Weinan E, Zhong-Qun Tian, Jun Cheng*Abstract: Due to the superior catalytic activity and efficient utilization of noble metals, nanocatalysts are extensively used in the modern industrial production of chemicals. The surface...