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...

我室张洪良教授和杨晔教授在 JPCL 上发表论文：Barrierless Self-Trapping of Photocarriers in Co3O4摘要：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 of the self-trapping mechanism is of key importance for improving the pe...

我室董全峰教授在 Chemical Engineering Journal 上发表论文：A Highly Reversible Glass-Fiber-Based Flexible Lithium Anode via Embedding Lithophilic Cobalt Quantum Dots摘要：Nonconducting textile materials will be the skeleton of electrode for flexible battery in growing widespread applications in portable and wearable electronics, a fiber-based lithium anode is facing more challenges and has more ...

我室董全峰教授在 Small 上发表论文：An Active-Oxygen-Scavenging Oriented Cathode-Electrolyte-Interphase for Long-Life Lithium-Rich Cathode Materials摘要：Lithium-rich layered oxides with high energy density are promising cathode materials, thus having attracted a large number of researchers. However, the materials cannot be commercialized for application so far. The crucial problem is the releas...

我室陈嘉嘉教授在 Advanced Materials 上发表论文：POM Anolyte for All-anion Redox Flow Batteries with High Capacity Retention and Coulombic Efficiency at Mild pH摘要：A highly soluble and stable Li5BW12O40 cluster delivers 2 e− redox reaction with fast electron transfer rates (2.5 * 10−2 cm s−1) and high diffusion coefficients (∼2.08 * 10−6 cm2 s−1) at mild pH ranging from 3 to 8. In-operan...