我室谭元植教授在 JACS 上发表论文：Helical Trilayer Nanographenes with Tunable Interlayer Overlaps摘要：The synthesis of well-defined nanocarbon multilayers, beyond the bilayer structure, is still a challenging goal. Herein, two trilayer nanographenes were synthesized by covalently linking nanographene layers through helicene bridges. The structural characterization of the trilayer nanographenes...

我室杨勇教授在 Nature Communications 上发表论文：Gas induced formation of inactive Li in rechargeable lithium metal batteries摘要：The formation of inactive lithium by side reactions with liquid electrolyte contributes to cell failure of lithium metal batteries. To inhibit the formation and growth of inactive lithium, further understanding of the formation mechanisms and composition of inactiv...

我室杨勇教授在 Nature Communications 上发表论文：Understanding the failure process of sulfide-based all-solid-state lithium batteries via operando nuclear magnetic resonance spectroscopy摘要：The performance of all-solid-state lithium metal batteries (SSLMBs) is affected by the presence of electrochemically inactive (i.e., electronically and/or ionically disconnected) lithium metal and solid e...

我室霍浩华教授课题组在sp3 C-H键不对称官能团化研究方向取得重要进展，相关研究成果近日以“Site- and enantioselective cross-coupling of saturated N-heterocycles with carboxylic acids by cooperative Ni/photoredox catalysis”为题发表于Nature Communications（DOI: 10.1038/s41467-023-35800-0）。含a位手性中心的饱和氮杂环骨架是药物、天然产物、手性催化剂中常见的结构单元。控制此类结构的a位手性中心构型非常重...

我室李剑锋教授在 Nature Protocols 上发表论文：In situ electrochemical Raman spectroscopy and ab initio molecular dynamics study of interfacial water on a single-crystal surface摘要：The dynamics and chemistry of interfacial water are essential components of electrocatalysis because the decomposition and formation of water molecules could dictate the protonation and deprotonation processes on th...

我室董全峰教授和王鸣生教授在 Advanced Materials 上发表论文：Superfast Mass Transport of Na/K Via Mesochannels for Dendrite-Free Metal Batteries摘要：Fast ion diffusion in anode hosts enabling uniform distribution of Li/Na/K is essential for achieving dendrite-free alkali metal batteries. Common strategies, e.g. expanding the interlayer spacing of anode materials, can enhance bulk diffusion of L...

我室卓春祥教授课题组在手性salen-Mo催化的不对称脱氧环丙烷化反应研究取得重要进展，相关研究成果以“Catalytic Asymmetric Deoxygenative Cyclopropanation Reactions by a Chiral Salen-Mo Catalyst” 为题发表于《美国化学会志》（J. Am. Chem. Soc. 2023, doi: 10.1021/jacs.2c12225）。手性环丙烷结构广泛分布在一系列天然产物和上市药物中。由于手性环丙烷的独特性质，使其在药物研发中非常具有吸引力。鉴于此，化学界对...

我室王斌举教授在 JCTC 上发表论文：Tracking the Delocalized Proton in Concerted Proton Transfer in Bulk Water摘要：A solvated proton in water is often characterized as a charge or structural defect, and it is important to track its evolution on-the-fly in certain dynamics simulations. Previously, we introduced the proton indicator, a pseudo-atom, whose position approximates the location of the e...

我室吴川六教授课题组在多肽分子设计和蛋白识别领域取得重要进展，成果以“Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs”为题发表于J. Am. Chem. Soc. (2023, DOI: 10.1021/jacs.2c12462)。吴川六课题组长期致力于环肽和多环多肽识别分子设计、筛选及蛋白识别研究，近年在多环多肽构筑、多肽库设计及筛选、蛋白识别分析及调控等方面取得了系列研究进展（J. Am. Chem. So...

我室王斌举教授在 JACS Au 上发表论文：Understanding the Key Roles of pH Buffer in Accelerating Lignin Degradation by Lignin Peroxidase摘要：pH buffer plays versatile roles in both biology and chemistry. In this study, we unravel the critical role of pH buffer in accelerating degradation of the lignin substrate in lignin peroxidase (LiP) using QM/MM MD simulations and the nonadiabatic electron tr...