- [JACS] Prof. Xiaoqing Huang published a paper entitled "Ultradurable Regenerative Propane Dehydrogenation Catalyst by Fluorination-Induced Confining and Posi... 2025-10-17
- [Nature Communications] Prof. Xiaoqing Huang published a paper entitled "A concurrently optimization of H and OH binding energies in atomically Ni anchored R... 2025-10-17
- [JCTC] Assoc. Prof. Chen Zhou published a paper entitled "Symmetric Group Semiempirical Valence Bond Method for Large Conjugated Molecules" 2025-09-01
- [JACS] Prof. Jianfeng Li published a paper entitled "In Situ Raman Spectroscopy Reveals the Multifunctional Role of Interfacial Water in CO2-to-C2 Electrored... 2025-09-01
- [ACIE] Prof. Yang Yang published a paper entitled "Taiji-Inspired Synergistic Attraction-Repulsion Electrostatic Interactions Enable Dual-Electrode Stabiliza... 2025-09-01
- [ACIE] Prof. Haichao Xu published a paper entitled "Continuous Flow Electrochemistry Unlocks Broadly Applicable Arene C─H Amination" 2025-09-01
- [ACIE] Prof. Yu Qiao published a paper entitled "Regulating Dynamic Evolution of Interfacial Electrolyte Configuration via Inert Cation Induced Anion Anchori... 2025-09-01
- [JACS] Prof. Zhongqun Tian published a paper entitled "Unveiling the Angstrom-Scale Interfacial Electron Spillover through the Metal/Electrolyte Interface" 2025-09-01
- [JACS] Profs. Xiang Wang and Bin Ren published a paper entitled "In Situ 3D Structural Determination of Soft Biomaterials by Computationally Assisted Polariz... 2025-09-01
- [JCTC] Prof. Binju Wang published a paper entitled "Matching the Probability Distribution On-the-Fly: OPES-Based Dual-Level Free Energy Calculation" 2025-09-01
Title: Ultradurable Regenerative Propane Dehydrogenation Catalyst by Fluorination-Induced Confining and PositioningAuthors: Yuting He, Shiyun Xiong, Zhongliang Huang, Guodong Qi, Xiaoqing Li, Xiaozhi Liu, Jun Xu, Dong Su, Zhiwei Hu, Wei-Hsiang Huang, Chih-Wen Pao, Shuangli Yang, Mingshu Chen, Yong Xu*, Xiaoqing Huang*Abstract: In the chemical industry, an elaborated design of catalysts for propane ...
Title: A concurrently optimization of H and OH binding energies in atomically Ni anchored Ru/RuO2 nanosheet driving high CO-tolerant hydrogen oxidation catalysisAuthors: Liangbin Liu, Lujie Jin, Renjie Ren, Wei Yan, Nan Fang, Yujin Ji, Youyong Li, Lin Zhuang, Qingyu Kong, Zhiwei Hu, Qi Shao* & Xiaoqing Huang*Abstract: The development of highly active and CO-tolerant hydrogen oxidation reaction (HOR)...
Title: Symmetric Group Semiempirical Valence Bond Method for Large Conjugated MoleculesAuthors: Peikun Zheng, Fuming Ying, Wei Wu, Chen Zhou*Abstract: Based on the theory of symmetric group representations, we propose the symmetric group semiempirical valence bond (SGSVB) method for handling large molecular systems. In this approach, the bonded tableau functions are employed to directly construct the ...
Title: In Situ Raman Spectroscopy Reveals the Multifunctional Role of Interfacial Water in CO2-to-C2 Electroreduction on Cu(hkl) SurfacesAuthors: Yu Zhao, Qiong-Qiong Li, Quan-Feng He, Pei-Wen Ren, Dong-Ao Zhang, Yao-Hui Wang, Jin-Chao Dong*, Shisheng Zheng*, Yue-Jiao Zhang*, Zhi-Lin Yang, Jian-Feng Li*Abstract: Interfacial water serves as both a proton donor and a competitor for active sites at the ...
Title: Taiji-Inspired Synergistic Attraction-Repulsion Electrostatic Interactions Enable Dual-Electrode Stabilization for Durable High-Areal-Capacity Aqueous Zinc-Bromine BatteriesAuthors: Qilong Wu, Rong Tang, Peiyao Wang, Fanxiang Meng, Minghao Zhang, Sirui Lin, Zeheng Lv, Jinbao Zhao, Yang Yang*Abstract: Aqueous zinc-bromine (Zn-Br2) batteries have emerged as promising candidates for grid-scale ...
Title: Continuous Flow Electrochemistry Unlocks Broadly Applicable Arene C─H AminationAuthors: Tian-Sheng Chen, Peng Xiong*, Hai-Chao Xu*Abstract: The direct C─H amination of arenes is a powerful strategy for synthesizing arylamines, yet existing methods often suffer from limited substrate scope, poor selectivity, or scalability issues, particularly for electron-deficient arenes. Here, we introduce ...
Title: Regulating Dynamic Evolution of Interfacial Electrolyte Configuration via Inert Cation Induced Anion Anchoring to Stabilize Lithium-Metal AnodeAuthors: Junhao Wang, Yaopeng Li, Wenbin Tu, Haitang Zhang, Xiaoyu Yu, Yuran Yang, Haiyan Luo, Qingao Zhao, Yaxin Ru, Ming Chen, Yuhao Hong, Jinyu Ye, Jian-Feng Li, Na Liu, Chuying Ouyang, Hansen Wang*, Yeguo Zou*, Guang Feng*, Yu Qiao*, Shi-Gang SunAbstract:...
Title: Unveiling the Angstrom-Scale Interfacial Electron Spillover through the Metal/Electrolyte InterfaceAuthors: Jun Yi, Yue-Jiao Zhang, Yi-Fan Huang*, Jun-Rong Zheng, En-Ming You, Xiang Wang, Wei Lu, Petar M. Radjenovic, Meng Zhang, Sai Duan, Jian-Feng Li*, Bing-Wei Mao, De-Yin Wu, Bin Ren, Wolfgang Schmickler, Alexei A. Kornyshev, Xin Xu, Xiang Zhang, Zhong-Qun Tian*Abstract: The behaviors of solid–...
Title: In Situ 3D Structural Determination of Soft Biomaterials by Computationally Assisted Polarized Raman SpectroscopyAuthors: Xiao-Han Xi, Hao Ma*, Sen Yan, Lin-Yuan Chen, Xin-Di Pei, Yan-Ti Liu, Ping-Shi Wang, Zi-Ang Nan, Xian-Kui Wei, Xiang Wang*, Bin Ren*Abstract: Soft biomaterials, characterized by structural disorder and weak interactions, pose significant challenges for structural characterization ...
Title: Matching the Probability Distribution On-the-Fly: OPES-Based Dual-Level Free Energy CalculationAuthors: Shuming Cheng, Shengheng Yan and Binju Wang*Abstract: The free energy profile (FE Profile) is essential for understanding chemical processes in complex systems. However, achieving sufficient sampling with an accurate potential in the FE profile calculations for chemical reactions in complex ...