我室王斌举教授在 J. Chem. Theory Comput. 上发表论文：O–O Bond Formation and Oxygen Release in Photosystem II Are Enhanced by Spin-Exchange and Synergetic Coordination Interactions摘要：The photosystem II (PSII)-catalyzed water oxidation is crucial for maintaining life on earth. Despite the extensive experimental and computational research that has been conducted over the past two decades, the ...

我室Pavlo O. Dral教授在 JCTC 上发表论文：Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces摘要：The KREG and pKREG models were proven to enable accurate learning of multidimensional single-molecule surfaces of quantum chemical properties such as ground-state potential energies, excitation energies, an...

近日，我室乔羽教授课题组围绕取代元素稳定富锂正极机制的研究取得重要进展。相关成果以“Role of Substitution Elements in Enhancing the Structural Stability of Li-Rich Layered Cathodes”为题发表在Journal of the American Chemical Society上（Doi: 10.1021/jacs.3c01999）。富锂层状氧化物阴极由于其较高的理论容量而备受关注，但是伴随着激活的O相关物种引起的电压衰减、结构畸变以及严重的电解质分解阻碍了富锂阴极...

我室黄小青教授在 Nature Communications 上发表论文：Atomic-thick metastable phase RhMo nanosheets for hydrogen oxidation catalysis摘要：Metastable phase two-dimensional catalysts provide great flexibility for modifying their chemical, physical, and electronic properties. However, the synthesis of ultrathin metastable phase two-dimensional metallic nanomaterials is highly challenging, mainly due ...

我室叶龙武教授在 ACIE 上发表论文：Construction of Axially Chiral Arylpyrroles via Atroposelective Diyne Cyclization摘要：Axially chiral biaryls widely exist in natural products and pharmaceuticals and are used as chiral ligands and catalysts in asymmetric synthesis. Compared to the well-established axially chiral 6-membered biaryl skeletons, examples of 5-membered biaryls have been quite scarce...

近日，“碳龙化学”团队报道了首例高张力且反芳香碳龙化合物-金属桥头茚。相关成果以“Isolation, Reactivity, and Tunable Properties of a Strained Antiaromatic Osmacycle”为题在线发表于《美国化学会志》（J. Am. Chem. Soc. 2023, DOI: 10.1021/jacs.3c00942）。高环张力和反芳香性是不利于环稳定存在的两种重要因素，如何实现同时包含这两种不稳定因素环系的合成对科学家们提出了更高的挑战，此外，受限于高环张力和反...

我室赵金保教授和杨阳副教授在 ACS energy letters 上发表论文：Diminishing Space-Charge Layer Effect of Zinc Anodes by an Anion-Immobilized Electrolyte Membrane摘要：The Zn dendrite issue, which is closely related to the creation of the space-charge region upon local anion depletion during cycling, has plagued the practical applications of aqueous Zn metal batteries (ZMBs). Herein, we propose a Ke...

我室赵金保教授在 ACIE 上发表论文：A Janus Separator based on Cation Exchange Resin and Fe Nanoparticles-decorated Single-wall Carbon Nanotubes with Triply Synergistic Effects for High-areal Capacity Zn-I2 Batteries摘要：Zn-I2 batteries stand out in the family of aqueous Zn-metal batteries (AZMBs) due to their low-cost and immanent safety. However, Zn dendrite growth, polyiodide shuttle effect a...

我室范凤茹教授在 ACIE 上发表论文：Contact-electro-catalysis for Direct Synthesis of H2O2 under Ambient Conditions摘要：Hydrogen peroxide (H2O2) is an indispensable basic reagent in various industries, such as textile bleach, chemical synthesis, and environmental protection. However, it is challenging to prepare H2O2 in a green, safe, simple and efficient way under ambient conditions. Here, we f...

我室卓春祥教授在 JACS 上发表论文：Modular Access to meta-Substituted Benzenes via Mo-Catalyzed Intermolecular Deoxygenative Benzene Formation摘要：The substituted benzene derivatives are essential to organic synthesis, medicinal chemistry, and material science. However, the 1,3-di- and 1,3,5-trisubstituted benzenes are far less prevalent in small-molecule drugs than other substitution patterns,...