我室洪文晶教授在 ACIE 上发表论文：Strain of supramolecular interactions in single-stacking junctions摘要：Supramolecular electronics provide opportunities to integrate molecular building blocks into electronic circuits, and investigations of the mechanical properties of the non-covalent interactions are necessary to understand the role of the assembly configuration in the electronic coupling am...

我室高锦豪教授在 Nano Lett. 上发表论文：Photoinduced Superhydrophilicity of Gd-Doped TiO2 Ellipsoidal Nanoparticles Boosts T1 Contrast Enhancement for Magnetic Resonance Imaging摘要：The unsatisfactory performance of current gadolinium chelate based T1 contrast agents (CAs) for magnetic resonance imaging (MRI) stimulates the search for better alternatives. Herein, we report a new strategy to su...

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 ...

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...

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...

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...

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...

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...

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...

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...