- [Nano Letters] Assoc. Prof. Hanfeng Liang published a paper entitled "Electrostatic Shielding Regulation of Magnetron Sputtered Al-Based Alloy Protective Coa... 2022-03-02
- [ACS Catalysis] Prof. Binju Wang published a paper entitled "Emergence of Function from Nonheme Diiron Oxygenases: A Quantum Mechanical/Molecular Mechanical ... 2022-03-02
- [JACS] 我室徐海超教授发表论文：Organoelectrocatalysis Enables Direct Cyclopropanation of Methylene Compounds 2022-03-02
- [JCTC] Prof. Binju Wang published a paper entitled "Reliable Prediction of the Protein–Ligand Binding Affinity Using a Charge Penetration Corrected AMOEBA F... 2022-03-02
- [JPCL] Prof. Sheng Hu published a paper entitled "One-Atom-Thick Crystals as Emerging Proton Sieves" 2022-01-04
- [Small] Prof. Wenjing Hong and Assoc.Prof. Yang Yang published a paper entitled "The Evolution of the Charge Transport Mechanism in Single-Molecule Break Jun... 2022-01-04
- [JMCA] Prof. Wanzhen Liang published a paper entitled "Influence of intrinsic defects on the structure and dynamics of the mixed Pb–Sn perovskite: first-pri... 2021-12-17
- [ACIE] Prof. Longwu Ye published a paper entitled "Copper-Catalyzed Asymmetric Diyne Cyclization via [1,2]-Stevens-Type Rearrangement for the Synthesis of Ch... 2021-12-17
- [ACS Energy Letters] Prof. Hanfeng Liang published a paper entitled "Preferred Orientation of TiN Coatings Enables Stable Zinc Anodes" 2021-12-17
- [JPCL] Profs. Kelvin H. L. Zhang and Ye Yang published a paper entitled "Barrierless Self-Trapping of Photocarriers in Co3O4" 2021-12-17
Title: Electrostatic Shielding Regulation of Magnetron Sputtered Al-Based Alloy Protective Coatings Enables Highly Reversible Zinc AnodesAuthors: Jiaxian Zheng, Zihao Huang, Ye Zeng, Wanqiang Liu*, Binbin Wei, Zhengbing Qi*, Zhoucheng Wang, Chuan Xia, and Hanfeng Liang*Abstract: The uncontrolled zinc dendrite growth during plating leads to quick battery failure, which hinders the widespread app...
Title: Emergence of Function from Nonheme Diiron Oxygenases: A Quantum Mechanical/Molecular Mechanical Study of Oxygen Activation and Organophosphonate Catabolism Mechanisms by PhnZAuthors: Xitong Song, Jia Liu, and Binju Wang*Abstract: Organophosphonate (Pn) catabolism constitutes the major source of inorganic phosphate (Pi), which is essential for the synthesis of genetic and cellular compone...
我室徐海超教授在 JACS 上发表论文：Organoelectrocatalysis Enables Direct Cyclopropanation of Methylene Compounds摘要：Cyclopropane is a prevalent structural unit in natural products and bioactive compounds. While the transition metal-catalyzed alkene cyclopropanation of functionalized compounds such as α-diazocarbonyl derivatives has been well established and provides straightforward access to ...
Title: Reliable Prediction of the Protein–Ligand Binding Affinity Using a Charge Penetration Corrected AMOEBA Force Field: A Case Study of Drug Resistance Mutations in Abl KinaseAuthors: Xiaoyang Qu, Lina Dong, Yubing Si, Yuan Zhao, Qiantao Wang*, Peifeng Su, and Binju Wang*Abstract: Protein mutations that directly impair drug binding are related to therapeutic resistance, and accurate predict...
Title: One-Atom-Thick Crystals as Emerging Proton SievesAuthors: Yu Jiang, Jiaojiao Ma, Chongyang Yang, and Sheng Hu*Abstract: Two-dimensional (2D) crystals, despite their atomic thickness, have long been considered as impermeable membranes to all molecules and atoms under ambient conditions: even the smallest of atoms, hydrogen, is expected to take billions of years to penetrate the 2D lattice...
Title: The Evolution of the Charge Transport Mechanism in Single-Molecule Break Junctions Revealed by Flicker Noise AnalysisAuthors: Zhichao Pan, Lichuan Chen, Chun Tang, Yong Hu, Saisai Yuan, Tengyang Gao, Jie Shi, Jia Shi, Yang Yang*, Wenjing Hong*Abstract: The electronic noise characterization of single-molecule devices provides insights into the mechanisms of charge transport. In this work,...
Title: Influence of intrinsic defects on the structure and dynamics of the mixed Pb–Sn perovskite: first-principles DFT and NAMD simulationsAuthors: Qi Liu, Akang Li, Weibin Chu, Oleg V. Prezhdo* and WanZhen Liang*Abstract: The mixed tin (Sn) and lead (Pb) perovskite compositions have shown great potential in perovskite photovoltaic devices due to the significantly enhanced material stability ...
Title: Copper-Catalyzed Asymmetric Diyne Cyclization via [1,2]-Stevens-Type Rearrangement for the Synthesis of Chiral Chromeno[3,4-c]pyrrolesAuthors: Longwu Ye*, Feng-Lin Hong, Chong-Yang Shi, Pan Hong, Tong-Yi Zhai, Xin-Qi Zhu, Xin LuAbstract: Here, we report a copper-catalyzed asymmetric cascade cyclization/[1,2]-Stevens-type rearrangement via a non-diazo approach, leading to the practical an...
Title: Preferred Orientation of TiN Coatings Enables Stable Zinc AnodesAuthors: Jiaxian Zheng, Zhen Cao, Fangwang Ming, Hanfeng Liang*, Zhengbing Qi, Wanqiang Liu*, Chuan Xia, Cuixue Chen, Luigi Cavallo, Zhoucheng Wang*, and Husam N. Alshareef*Abstract: Metallic Zn is considered as an ideal anode while its widespread use in rechargeable aqueous batteries still faces many challenges, mostly asso...
Title: Barrierless Self-Trapping of Photocarriers in Co3O4Authors: Yacun Zhang, Chongjian Zhang, Xiaochun Huang, Zhangqiang Yang, Kelvin H. L. Zhang*, and Ye Yang*Abstract: The self-trapping of a free carrier in transition-metal oxides can lead to a small polaron, which is responsible for the inadequate performance of the oxide-based optoelectronic applications. Thus, fundamental understanding ...