我室孙世刚教授在 JMCA 上发表论文：Insights into the Li incorporation effect in Ni/Co-free P2-type Na0.6Mn0.8Cu0.2O2 for sodium-ion batteries文章链接：https://pubs.rsc.org/en/content/articlelanding/2020/ta/d0ta08268f#!divAbstract摘要：Copper-containing composites have been widely investigated among various sodium-layered cathode materials due to the low cost and abundance of the copper element. ...

我室董全峰教授在 ACS nano 上发表论文：Turning Soluble Polysulfide Intermediates Back into Solid State by a Molecule Binder in Li–S Batteries文章链接：https://pubs.acs.org/doi/10.1021/acsnano.0c07240摘要：The shuttle effect of dissolved polysulfides produced during the operation of lithium–sulfur batteries is the most serious and fundamental problem among many challenges. We propose a strategy...

我室郑南峰教授、傅钢教授团队与北京大学江颖教授课题组密切合作在铜材料表面配位防腐技术方面取得重要进展。相关成果“Surface Coordination Layer Passivates Oxidation of Copper” 于10月14日发表在Nature, 586, 390-394。 铜是一种具有优良的导热性、导电性和延展性的重要有色金属，已被广泛应用于日常生活和工业生产中。与铝和镍等金属不同，铜表面无法形成致密、稳定的钝化层，致使铜表面会被持续氧化腐蚀。历史上，铜的...

我室程俊教授课题组在电化学界面双电层理论模拟中研究取得重要进展，相关成果以“Molecular origin of negative component of Helmholtz capacitance at electrified Pt(111)/water interface”为题发表于Science Advances (Sci. Adv. 6, eabb1219 (2020)). 双电层对于电化学界面过程的意义重大，但目前依然对其缺乏足够的微观认知。在该工作中，结合第一性原理分子动力学方法和课题组自身发展的电极电势计算方法（计算氢标准电...

我室王野教授、程俊教授和张庆红教授在 Chem 上发表论文：Selectivity Control in Photocatalytic Valorization of Biomass-Derived Platform Compounds by Surface Engineering of Titanium Oxide文章链接：https://www.sciencedirect.com/science/article/pii/S2451929420304241摘要：Photocatalysis has offered a promising opportunity for selective transformation of biomass to high-value chemicals or fuels under m...

我室​夏海平教授课题组碳龙化学研究取得新进展，利用金属卡拜与炔烃的新反应，成功地合成了一类金属d轨道参与π共轭的全新共轭体系并在有机太阳能电池领域得到应用，相关成果以“Addition of alkynes and osmium carbynes towards functionalized dπ–pπ conjugated systems” 为题在线发表于《自然•通讯》（Nature Communications，DOI: 10.1038/s41467-020-18498-2）。      碳-碳三键和碳-金属三键是两类高度不饱和的化...

我室李剑锋教授在 ACIE 上发表论文：In Situ Raman Study of CO Electrooxidation on Pt(hkl) Single Crystal Surfaces in Acidic Solution文章链接：https://onlinelibrary.wiley.com/doi/10.1002/anie.202010431摘要：The adsorption and electrooxidation of CO molecules at well‐defined Pt(  hkl  ) single crystal electrode surfaces is a key step towards addressing catalyst poisoning mechanisms in fuel cells. ...

我室夏海平教授在 Chemical Science 上发表论文：Extension of the Simmons–Smith reaction to metal-carbynes: efficient synthesis of metallacyclopropenes with σ-aromaticity文章链接：https://pubs.rsc.org/en/content/articlelanding/2020/sc/d0sc03215h#!divAbstract摘要：The Simmons–Smith reaction offers a direct route for conversion of an alkene into a cyclopropane with a zinc carbenoid as the active ...

我室周剑章副教授和吴德印教授在 J. Am. Chem. Soc. 上发表论文：Plasmonic Hot Electron-Mediated Hydrodehalogenation Kinetics on Nanostructured Ag Electrodes文章链接：https://pubs.acs.org/doi/10.1021/jacs.0c07027摘要：An attractive field of plasmon-mediated chemical reaction (PMCR) is developing rapidly, but there is still incomplete under-standing of how to control the kinetics of such a reaction ...

我室曹泽星教授在 J. Chem. Theory Comput. 上发表论文：A Double-Well Ultra-Coarse-Grained Model to Describe Protein Conformational Transitions文章链接：https://pubs.acs.org/doi/10.1021/acs.jctc.0c00551摘要：The double-well model is usually used to describe the conformational transition between two states of protein. Since conformational changes usually occur within a relatively large timescale, c...