Title: Linking the Defects to the Formation and Growth of Li Dendrite in All-Solid-State BatteriesAuthors: Hongchun Wang, Haowen Gao, Xiaoxuan Chen, Jianping Zhu, Wangqin Li, Zhengliang Gong, Yangxing Li, Ming-Sheng Wang*, Yong Yang*Abstract: The nucleation and growth of Li metal during deposition and the associated dendrite penetration are the critical and fundamental issues influencing the sa...

Title: Asymmetric dearomatization catalysed by chiral Brønsted acids via activation of ynamidesAuthors: Ying-Qi Zhang, Yang-Bo Chen, Ji-Ren Liu, Shao-Qi Wu, Xin-Yang Fan, Zhi-Xin Zhang, Xin Hong* & Long-Wu Ye*Abstract: Chiral Brønsted acid-catalysed asymmetric synthesis has received tremendous interest over the past decades, and numerous efficient synthetic methods have been developed based on ...

Title: Site-Specified Two-Dimensional Heterojunction of Pt Nanoparticles/Metal–Organic Frameworks for Enhanced Hydrogen EvolutionAuthors: Mengjun Wang, Yong Xu, Chun-Kuo Peng, San-Yuan Chen, Yan-Gu Lin, Zhiwei Hu, Li Sun, Songyuan Ding, Chih-Wen Pao, Qi Shao, and Xiaoqing Huang*Abstract: Heterojunction nanostructures usually exhibit enhanced properties in compariosn with their building blocks ...

Title: Extended Mulliken–Hush Method with Applications to the Theoretical Study of Electron TransferAuthors: Mingxing Ren, Lina Zhang, Yang Jiao, Zhenhua Chen*, and Wei WuAbstract: A novel adiabatic-to-diabatic (ATD) transformation strategy, namely, the extended Mulliken–Hush (XMH) method, is proposed to evaluate diabatic properties including electronic couplings, potential energy surfaces, a...

Title: N-Body Reduced Density Matrix-Based Valence Bond Theory and Its Applications in Diabatic Electronic-Structure ComputationsAuthors: Zhenhua Chen*, Jinshuai Song, Xun Chen, Chen Zhou, and Wei Wu*Abstract: Valence bond (VB) theory, as a helpful complement to the more popular molecular orbital theory, is a fundamental electronic-structure theory that aims at interpreting molecular structure ...

Title: Visualization of the intermediates in organic catalytic reaction by single-molecule electrical spectroscopyAuthors: Zhibing Tan, Junyang Liu, Wenjing Hong*Abstract: The capture and characterization of highly reactive and short-lived intermediates in organic catalytic reactions are challenging yet are very important for mechanism elucidation. Recently in Matter, Guo and co-workers employe...

Title: Tailoring the redox-active transition metal content to enhance cycling stability in cation-disordered rock-salt oxidesAuthors: Ke Zhou, Yining Li, Shiyao Zheng, Maojie Zhang, Chunyang Zhang, Corsin Battaglia, Haodong Liu, Kuan Wang, Pengfei Yan, Jianjun Liu, Yong Yang*Abstract: Lithium-excess cation-disordered rock-salt oxides (DRXs) are investigated intensively as cathode materials for ...

Title: Atomically Isolated Rh Sites within Highly Branched Rh2Sb Nanostructures Enhance Bifunctional Hydrogen ElectrocatalysisAuthors: Ying Zhang, Gen Li, Zhonglong Zhao, Lili Han, Yonggang Feng, Shangheng Liu, Bingyan Xu, Honggang Liao*, Gang Lu, Huolin L. Xin*, Xiaoqing Huang*Abstract: Breaking the bottleneck of hydrogen oxidation/evolution reactions (HOR/HER) in alkaline media is of tremendo...

Title: Creating Fluorine-Doped MoS2 Edge Electrodes with Enhanced Hydrogen Evolution ActivityAuthors: Ruihua Zhang, Mengru Zhang, Hao Yang, Gen Li, Shuming Xing, Mengyan Li, Yiling Xu, Qiuyue Zhang, Sheng Hu, Honggang Liao, Yang Cao*Abstract: The edge sites of MoS2 are catalytically active for hydrogen evolution reactions (HER). However, pristine edge sites usually contain only intrinsic atoms ...

Title: In Situ Raman Observation of Oxygen Activation and Reaction at Platinum–Ceria Interfaces during CO OxidationAuthors: Di-Ye Wei, Mu-Fei Yue, Si-Na Qin, Sa Zhang, Yuan-Fei Wu, Ge-Yang Xu, Hua Zhang*, Zhong-Qun Tian, and Jian-Feng Li*Abstract: Understanding the fundamental insights of oxygen activation and reaction at metal–oxide interfaces is of significant importance yet remains a major...