科研动态/ Progress

  • [J. Phys. Chem. Lett.] 我室Pavlo O. Dral教授发表论文:Toward Chemical Accuracy in Pre... 2022年04月25日
  • 我室Pavlo O. Dral教授在 J. Phys. Chem. Lett. 上发表论文:Toward Chemical Accuracy in Predicting Enthalpies of Formation with General-Purpose Data-Driven Methods摘要:Enthalpies of formation and reaction are important thermodynamic properties that have a crucial impact on the outcome of chemical transformations. Here we implement the calculation of enthalpies of formation with a general-purpose ...

  • [Nano Energy] 我室彭栋梁教授发表论文:Ion-Conductive Gradient Sodiophilic 3D Scaffold... 2022年04月25日
  • 我室彭栋梁教授在 Nano Energy 上发表论文:Ion-Conductive Gradient Sodiophilic 3D Scaffold Induced Homogeneous Sodium Deposition for Highly Stable Sodium Metal Batteries摘要:Sodium (Na) metal is considered as an appealing anode material for high-energy density Na batteries owing to its low cost, low redox potential and high theoretical capacity. However, several issues triggered by the uncontrol...

  • [Nat. Commun.] 我室吴川六教授发表论文:De novo design and directed folding of disulfi... 2022年04月25日
  • 我室吴川六教授在 Nat. Commun. 上发表论文:De novo design and directed folding of disulfide-bridged peptide heterodimers摘要:Peptide heterodimers are prevalent in nature, which are not only functional macromolecules but molecular tools for chemical and synthetic biology. Computational methods have also been developed to design heterodimers of advanced functions. However, these peptide heterodim...

  • [Nature Communications] 基于人工智能的量子动力学预测光捕获复合物中激发能量转移 2022年04月18日
  • Pavlo O. Dral副教授与其博士后Arif Ullah发展了一种极快的基于人工智能(AI)的量子动力学(QD)方法,相关成果以“Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics”为题,发表在Nature Communications上。该论文通过AI-QD方法,提出了一种新的方法来传播量子动力学,该方法绕过了传统迭代动力学的需要,只需提供重组能量λ、特征频...

  • [Energy Environ. Sci.] 我室黄小青教授发表论文:Ultrathin perovskite derived Ir-based ... 2022年04月01日
  • 我室黄小青教授在 Energy Environ. Sci. 上发表论文:Ultrathin perovskite derived Ir-based nanosheets for high-performance electrocatalytic water splitting摘要:Ultrathin two-dimensional (2D) nanostructures attract increasing attention due to their unique properties and resultant applications in diverse fields, yet the controllable synthesis of ultrathin 2D nanostructures without capping agents re...

  • [Small] 我室彭栋梁教授发表论文:Challenge and Strategies in Room Temperature Sodium–... 2022年04月01日
  • 我室彭栋梁教授在 Small 上发表论文:Challenge and Strategies in Room Temperature Sodium–Sulfur Batteries: A Comparison with Lithium–Sulfur Batteries摘要:Metal–sulfur batteries exhibit great potential as next-generation rechargeable batteries due to the low sulfur cost and high theoretical energy density. Sodium–sulfur (Na–S) batteries present higher feasibility of long-term development tha...

  • [J. Am. Chem. Soc.] 我室孔祥建教授发表论文:Counterintuitive Lanthanide Hydrolysis-In... 2022年04月01日
  • 我室孔祥建教授在 J. Am. Chem. Soc. 上发表论文:Counterintuitive Lanthanide Hydrolysis-Induced Assembly Mechanism摘要:The understanding of the hydrolysis mechanism of lanthanide ions is limited by their elusive coordination configuration and undeveloped technology. A potential solution by high-resolution mass spectroscopy studies is hindered by the lack of a stable model under electrospray ioni...

  • [Nano Lett.] 我室张洪良教授发表论文:Revealing the Interaction of Charge Carrier–Pho... 2022年04月01日
  • 我室张洪良教授在 Nano Lett. 上发表论文:Revealing the Interaction of Charge Carrier–Phonon Coupling by Quantification of Electronic Properties at the SrTiO3/TiO2 Heterointerface摘要:Oxide heterointerfaces with high carrier density can interact strongly with the lattice phonons, generating considerable plasmon–phonon coupling and thereby perturbing the fascinating optical and electronic prope...

  • [J. Phys. Chem. Lett.] 我室胡晟教授发表论文:Cation-Gated Ion Transport at Nanometer ... 2022年04月01日
  • 我室胡晟教授在 J. Phys. Chem. Lett. 上发表论文:Cation-Gated Ion Transport at Nanometer Scale for Tunable Power Generation摘要:Gated ion channels in biological cell membranes allow efficient tuning of cross-membrane ion transport with enhanced permeation and selectivity, converting ionic signals into various forms of electrical signals and energies on demands, which functionalities though are ...

  • [J. Phys. Chem. Lett.] 我室王斌举教授发表论文:Critical Roles of Exchange and Superex... 2022年04月01日
  • 我室王斌举教授在 J. Phys. Chem. Lett. 上发表论文:Critical Roles of Exchange and Superexchange Interactions in Dictating Electron Transfer and Reactivity in Metalloenzymes摘要:Electron transfer (ET) is a fundamental process in transition-metal-dependent metalloenzymes. In these enzymes, the spin–spin interactions within the same metal center and/or between different metal sites can play a piv...