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 ...
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–oxyge...
Title: Concise Total Synthesis of (−)-Bipolarolide DAuthors: Shengling Sun, Qi Wei, Yufei Liu, and Zhaohong Lu*Abstract: Here we report the first and concise total synthesis of a complex ophiobolin-derived sesterterpene, bipolarolide D, which hinges on two strategic applications of pentafulvene: (1) enantioselectiv...
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 ...
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 ...
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*Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202405379
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