- [JACS] Prof. Xiaoqing Huang published a paper entitled "Site-Specified Two-Dimensional Heterojunction of Pt Nanoparticles/Metal–Organic Frameworks for Enhan... 2021-10-13
- [Journal of Chemical Theory and Computation] Prof. Zhenhua Chen published a paper entitled "Extended Mulliken–Hush Method with Applications to the Theoretic... 2021-10-13
- [Accounts of Chemical Research] Prof. Wei Wu published a paper entitled "N-Body Reduced Density Matrix-Based Valence Bond Theory and Its Applications in Diab... 2021-10-13
- [Chem] Prof. Wenjing Hong published a paper entitled "Visualization of the intermediates in organic catalytic reaction by single-molecule electrical spectros... 2021-10-11
- [Energy Storage Materials] Prof. Yong Yang published a paper entitled "Tailoring the redox-active transition metal content to enhance cycling stability in ca... 2021-10-11
- [Advanced materials] Profs. Honggang Liao and Xiaoqing Huang published a paper entitled "Atomically Isolated Rh Sites within Highly Branched Rh2Sb Nanostruct... 2021-10-11
- [Small methods] Prof. Yang Cao published a paper entitled "Creating Fluorine-Doped MoS2 Edge Electrodes with Enhanced Hydrogen Evolution Activity" 2021-10-08
- [JACS] Prof. Jianfeng Li published a paper entitled "In Situ Raman Observation of Oxygen Activation and Reaction at Platinum–Ceria Interfaces during CO Oxid... 2021-10-08
- [JACS] Prof. Nanfeng Zheng published a paper entitled "Heterogeneous Isomerization for Stereoselective Alkyne Hydrogenation to trans-Alkene Mediated by Frust... 2021-10-08
- [ACS Energy Letter] Prof. Bin Ren published a paper entitled "Photoinduced Charge Transfer from a Semiconductor to a Metal Probed at the Single-Nanoparticle ... 2021-10-08
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...
Title: Heterogeneous Isomerization for Stereoselective Alkyne Hydrogenation to trans-Alkene Mediated by Frustrated Hydrogen AtomsAuthors: Weijie Zhang, Ruixuan Qin, Gang Fu, and Nanfeng Zheng*Abstract: Stereoselective production of alkenes from the alkyne hydrogenation plays a crucial role in the chemical industry. However, for heterogeneous metal catalysts, the olefins in cis-configuration are...
Title: Photoinduced Charge Transfer from a Semiconductor to a Metal Probed at the Single-Nanoparticle LevelAuthors: Zhixuan Lu, Xiang Wu, Ningyu Chen, Maofeng Cao, Matthew M. Sartin, and Bin Ren*Abstract: Decorating semiconductors with noble metals may significantly enhance the efficiency of photocatalysis. Probing photoinduced charge transfer (PICT) between semiconductors and noble metals at t...