Michael Smidman,Huiqiu Yuan
Michael Smidman
Partial-coverage assembly of graphdiyne-derived fragment-protected Cu(I) clusters generates an ordered single-metal site catalyst [0.03%]
图论二炔衍生片段保护铜(I)簇的不完全组装可生成有序单金属位点催化剂
Shuai Chen,Xi Fan,Shuai Yan et al.
Shuai Chen et al.
Isolated single-site catalysts (ISSCs) have emerged as promising materials for energy conversion and storage. However, current approaches for inorganic nanocatalysts are often ineffective in achieving precisely ordered periodic atomic arran...
LamNet: an alchemical-path-aware graph neural network to accelerate binding free energy calculations for drug discovery and beyond [0.03%]
基于药效团的路径感知图神经网络加速结合自由能计算用于药物发现等方向的研究
Renling Hu,Jialu Wu,Qun Su et al.
Renling Hu et al.
Accurate prediction of protein-ligand binding free energies is critical yet computationally demanding in drug discovery. Alchemical free energy methods (AFEMs) offer high accuracy but suffer from significant computational costs and complex ...
Chunlei Zhao,Wenjie Hao,Xiulai Chen
Chunlei Zhao
Decoding polarity gradient enabled ultra-high lithium ion conduction [0.03%]
解码极化梯度-enabled超高性能锂离子导体
Yuqing Chen,Aiping Wang,Yun Zhao et al.
Yuqing Chen et al.
The operational stability of lithium-ion batteries under extreme cryogenic conditions remains fundamentally constrained by solvation structure heterogeneity in conventional electrolytes, where imbalanced coordination fields between high- an...
Supramolecular linker-directed assembly of a 'trap-and-diffusion' MOF for one-step purification of polymer-grade C2H4 from C2 hydrocarbons [0.03%]
超分子连接子指导的“捕获和扩散”MOF组装，一步法提纯C2烃中聚合物级C2H4
Jia-Peng Han,Han Fang,Hongliang Huang et al.
Jia-Peng Han et al.
Simultaneously removing ethane (C2H6) and acetylene (C2H2) from ethylene (C2H4) streams is advantageous for industrial production yet remains challenging for physisorbents. Herein, we report a microporous metal-organic framework (MOF), NKM-...
Water-induced mantle overturn explains high Archean paleointensities [0.03%]
水诱导的幔对流可以解释太古代古地磁场强度偏高现象
Dong Wang,Zhongqing Wu
Dong Wang
As a consequence of the evolution of the water-bearing basal magma ocean, water-induced mantle overturn can suitably explain many puzzling observations in the Archean, including the formation of continents and the Archean-Proterozoic bounda...
Strain, stress and rotation fields, and energetic features of twisted 2D materials [0.03%]
扭曲二维材料的应变、应力和转角场及其能量学特征
Shuchang Li,Qian Zhang,Hanzheng Xing et al.
Shuchang Li et al.
Twisted two-dimensional (2D) materials exhibit remarkable quantum properties due to Moiré-pattern-induced electronic band structure change, highly sensitive to nanoscale deformation from atomic-scale reconstruction. The absence of an analy...
Itinerant topological magnons and spin excitons in twisted transition metal dichalcogenides: mapping electron topology to its spin counterpart [0.03%]
扭转过渡金属二硫族化合物中的游离拓扑磁子和自旋激子：电子拓扑结构映射至其对应的自旋结构
Wei-Tao Zhou,Zhao-Yang Dong,Zhao-Long Gu et al.
Wei-Tao Zhou et al.
Twisted transition metal dichalcogenide (tTMD) provides a highly tunable platform to explore the interplay between strong correlation and topology. The properties of tTMD involving the charge degree of freedom have been extensively studied,...
Capacity-expanding O/Cl-bridged catholyte boosts energy density in zero-pressure all-solid-state lithium batteries [0.03%]
扩容O/Cl-桥接阴极电解质增强零压全固态锂电池的能量密度
Houyi Liu,Shuaika Liang,Yuhao Duan et al.
Houyi Liu et al.
The advancement of all-solid-state lithium batteries (ASSLBs) requires innovative breakthroughs in catholyte design to eliminate the need for external pressure and mitigate the adverse effects of inactive catholytes on energy density. Here,...