我室王翔副教授在 JPCL 上发表论文：Operando Electrochemical X-ray Diffraction and Raman Spectroscopic Studies Revealing the Alkali-Metal Ion Intercalation Mechanism in Prussian Blue Analogues摘要：Prussian blue analogues are promising cathode material candidates for aqueous rechargeable metal-ion batteries. Although great efforts have been made on developing materials, there are still rare repor...

我室梁汉锋副教授在 Nano Letters 上发表论文：Electrostatic Shielding Regulation of Magnetron Sputtered Al-Based Alloy Protective Coatings Enables Highly Reversible Zinc Anodes摘要：The uncontrolled zinc dendrite growth during plating leads to quick battery failure, which hinders the widespread applications of aqueous zinc-ion batteries. The growth of Zn dendrites is often promoted by the “tip e...

我室王斌举教授在 ACS Catalysis 上发表论文：Emergence of Function from Nonheme Diiron Oxygenases: A Quantum Mechanical/Molecular Mechanical Study of Oxygen Activation and Organophosphonate Catabolism Mechanisms by PhnZ摘要：Organophosphonate (Pn) catabolism constitutes the major source of inorganic phosphate (Pi), which is essential for the synthesis of genetic and cellular components. Unlike va...

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 ...

我室王斌举教授在 JCTC 上发表论文：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 Kinase摘要：Protein mutations that directly impair drug binding are related to therapeutic resistance, and accurate prediction of their impact on drug binding would benefit drug design and clinical...

我室胡晟教授在 JPCL 上发表论文：One-Atom-Thick Crystals as Emerging Proton Sieves摘要：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 covered with dense electron clouds. Rec...

我室洪文晶教授和杨扬副教授在 Small 上发表论文：The Evolution of the Charge Transport Mechanism in Single-Molecule Break Junctions Revealed by Flicker Noise Analysis摘要：The electronic noise characterization of single-molecule devices provides insights into the mechanisms of charge transport. In this work, it is reported that flicker noise can serve as an indicator of the time-dependent evoluti...

我室梁万珍教授在 JMCA 上发表论文：Influence of intrinsic defects on the structure and dynamics of the mixed Pb–Sn perovskite: first-principles DFT and NAMD simulations摘要：The mixed tin (Sn) and lead (Pb) perovskite compositions have shown great potential in perovskite photovoltaic devices due to the significantly enhanced material stability and prolonged carrier lifetime, compared to the pur...

我室叶龙武教授在 ACIE 上发表论文：Copper-Catalyzed Asymmetric Diyne Cyclization via [1,2]-Stevens-Type Rearrangement for the Synthesis of Chiral Chromeno[3,4-c]pyrroles摘要：Here, we report a copper-catalyzed asymmetric cascade cyclization/[1,2]-Stevens-type rearrangement via a non-diazo approach, leading to the practical and atom-economic assembly of various valuable chiral chromeno[3,4- c ]py...

我室梁汉锋副教授在 ACS Energy Letters 上发表论文：Preferred Orientation of TiN Coatings Enables Stable Zinc Anodes摘要：Metallic Zn is considered as an ideal anode while its widespread use in rechargeable aqueous batteries still faces many challenges, mostly associated with the dendritic growth and corrosion of Zn and the side reactions. In this work, we demonstrate that a TiN protective coatin...