PpF: a density functional fine-tuned for noncovalent interactions of protein and peptide residues [0.03%]
PPF：一种适用于非共价相互作用的蛋白质和肽残基的密度泛函微调功能
Yini Zhou,Tao Li,Yaqi Li et al.
Yini Zhou et al.
The essence of protein-peptide interactions lies in the noncovalent interactions between amino-acid pairs; accurately calculating interaction energies of these pairs is crucial for modelling the tertiary structure and protein-peptide intera...
Breaking the SHG-stability trade-off in UV nonlinear optical materials by polar-layer-dense-locking [0.03%]
通过极性层致密锁定在UV非线性光学材料中打破SHG稳定性折中方案
Jiaqi Qian,Yunjie Wang,Jiafu Ding et al.
Jiaqi Qian et al.
In ultraviolet (UV) nonlinear optical (NLO) metal-organic complexes (MOCs), simultaneously achieving a strong second-harmonic generation (SHG) response and high thermal and water stability has remained a persistent bottleneck. Herein, a "po...
Synergetic electronic spin modulation and asymmetric orbital hybridization at the CoSe2/Fe3Se4 interface inducing a robust SEI for enhanced sodium ion storage [0.03%]
协同电子自旋调控和不对称轨道杂化在CoSe2/Fe3Se4界面增强钠离子存储的稳定SEI中的作用
Mingyu Lian,Yitong Sun,Di Zhou et al.
Mingyu Lian et al.
Transition metal selenides (TMSes) are recognized as promising anode materials for sodium-ion batteries (SIBs) owing to their ideal capacity and low cost, but their practical application suffers from crucial issues of inferior cycling stabi...
Crystalline-amorphous homojunction engineering in carbon nitride for solar-driven nitrate into ammonia conversion [0.03%]
用于太阳能驱动硝酸盐转化为氨的碳氮化物本征晶态-非晶态同质结工程研究
Yiyang Chen,Yuxiang Zhu,Xiang Zhong et al.
Yiyang Chen et al.
Photocatalytic nitrate to ammonia conversion offers a promising route to close the nitrogen cycle, yet is limited by inefficient charge separation and poor reaction selectivity. Here, crystalline-phase-engineered oxygen-doped carbon nitride...
Synthesis and applications of 1D and 2D nanoparticles prepared through crystallisation-driven self-assembly [0.03%]
基于结晶驱动自组装的一维和二维纳米材料的合成及应用研究进展
Kaixiang Yang,Maria C Arno
Kaixiang Yang
Controlled, hierarchical assembly across length scales is a hallmark of natural materials and is often cited as the origin of their desirable properties - bone is the archetypal example, with its impressive combination of stiffness and toug...
Synergistic mechanisms of metal-based supports in Ru-based HER catalysts: from dimensional perspective to metal-support interaction engineering [0.03%]
基于HER催化剂的金属基载体的协同机制：从维度角度到金属-支撑相互作用工程
Ya Yan,Qiang Yuan
Ya Yan
The transition to a sustainable energy system requires efficient renewable energy conversion and storage technologies. Green hydrogen produced through water electrolysis offers a promising solution for storing intermittent renewable energy ...
Dae Young Bae,Nicholas P Ruhs,Liviu M Mirica
Dae Young Bae
Recent reports have increasingly documented palladium-catalyzed C-H bond functionalization reactions involving high-valent PdIII and PdIV intermediates, yet these transformations often depend on strong oxidants and external bases. Herein, w...
Goldilocks boronic esters: optimized properties through understanding hydrolysis kinetics [0.03%]
金洛利克斯硼酸酯：通过了解水解动力学来优化性质
Reyner D Vargas,Samantha S Cox,James O Larkin et al.
Reyner D Vargas et al.
Boronic acids react reversibly with diols to form boronic ester derivatives, a process that can be used as a protecting group in multistep synthesis. Boronic ester formation is also an example of dynamic covalent chemistry that can be used ...
Unlocking superior Li+ transport and anodic compatibility for solid polymer electrolytes by zwitterionic metal-organic filler-mediated Li+ coordination engineering [0.03%]
通过双离子金属有机填料介导的Li+配位工程解除固态聚合物电解质中优异的Li+输运和阳极相容性限制
Mochun Zhang,Zhengguang Li,Yuyan Liu et al.
Mochun Zhang et al.
Residual solvents such as DMF in vinylidene fluoride (VDF)-based solid polymer electrolytes (SPEs) promote lithium salt dissociation but trigger parasitic reactions with the Li metal anode, limiting interfacial stability. Here, we introduce...
Reconstruction-hybridization of molecular and metallic interfaces for efficient oxygen evolution [0.03%]
分子和金属界面的再建构-杂化以实现高效的析氧反应
Fei Wei,Dongliang Zhang,Yinbo Zhan et al.
Fei Wei et al.
Electrochemical reconstruction of molecular catalysts offers a route to high-performance oxygen evolution reaction (OER) interfaces, but the roles of the molecular centre and substrate in this process remain unclear. Here, we employ a "reco...