Real-space Kohn-Sham density functional theory for complex energy applications [0.03%]
应用于复杂能量体系的实空间KS密度泛函理论计算
Zeyi Zhang,Liping Liu,Drew M Glenna et al.
Zeyi Zhang et al.
Real-space Kohn-Sham density functional theory (real-space KS-DFT) enables large-scale electronic structure simulations that is particularly well-suited for the modern high-performance computing (HPC) architectures. This feature article rev...
Macrocyclic skeletal modification approach to the anti-trypanosomal macrolides, actinoallolides [0.03%]
大环修饰方法构建抗锥虫的actinoallolide类大环内酯化合物
Goh Sennari,Akito Watanabe,Takanori Ōno et al.
Goh Sennari et al.
Herein, we report the construction of 16-membered macrocycles that were designed as intermediates toward the unified synthesis of actinoallolides. Key to our synthesis was the use of Mitsunobu macrocyclization, followed by a sequence of Bir...
Lanthanide-based catalysts for electrochemical water splitting: unraveling the interplay of structure, properties, and performance [0.03%]
基于镧系元素的电化学水裂解催化剂：结构、性能及性质之间的关系研究
Baghendra Singh
Baghendra Singh
Materials based on lanthanides have become attractive options for water-splitting applications owing to their unique electronic characteristics, such as their large ionic radii, efficient electronic interactions, and changeable oxidation st...
Interface-engineered Co3O4 nano-islands on a Cu substrate for high-efficiency electrocatalytic nitrate-to-ammonia conversion [0.03%]
用于高效电催化硝酸根转化为氨的界面工程Co3O4纳米岛状结构/Cu基底催化剂
Tong Xu,Zhenxiao Wang,Hongyang Zhu et al.
Tong Xu et al.
A core@shell C/Cu@Co3O4 catalyst with interfacial-engineered nano-islands on a Cu substrate was constructed, featuring accelerated electron-transfer properties and optimized nitrate trapping through the synergetic interfacial effect, achiev...
Strategies for electrolyte modification in aqueous zinc-ion batteries: an antisolvent approach [0.03%]
用于锌离子电池的电解液改良策略：一种反溶剂方法
Asis Sethi,Chaithra Rajeev,Anil Kumar U et al.
Asis Sethi et al.
The advancement of zinc-ion batteries (ZIBs) has been impeded by issues associated with the aqueous electrolyte, including hydrogen evolution, dendritic growth, and limited electrochemical stability. Additionally, the decomposition of the a...
Palladium-catalyzed cyanation of aryl (pseudo)halides using a redox-active N-CN reagent [0.03%]
钯催化芳基(伪)卤化物与氧化加成活性N-CN试剂的亲核氰化反应
Murugan Dhanalakshmi,Pazhamalai Anbarasan
Murugan Dhanalakshmi
An efficient palladium-catalyzed cyanation of aryl bromides has been demonstrated using a readily accessible and redox-active electrophilic cyanating reagent. The reaction was successfully extended to the cyanation of aryl iodides, triflate...
Correction: Systematic exploration of alkali-anion pairs for descriptor identification in OH-mediated methane coupling [0.03%]
纠正：碱金属-阴离子对体系在甲烷偶联OH介导机制下的系统研究及描述符识别
Shintaro Yoshida,William J Movick,Keisuke Obata et al.
Shintaro Yoshida et al.
Correction for 'Systematic exploration of alkali-anion pairs for descriptor identification in OH-mediated methane coupling' by Shintaro Yoshida et al., Chem. Commun., 2025, https://doi.org/10.1039/D5CC01090J.
Published Erratum
Chemical communications (Cambridge, England). 2025 Jun 16. DOI:10.1039/d5cc90184g 2025
Self-sorting multi-scale materials by self-assembling multi-component nanostructured gels in nonwoven fabrics [0.03%]
一种非织造布中多组分纳米结构凝胶自组装实现材料多尺度自分类的方法
Elizabeth Wheeldon,Michael R Dennis,Ningtao Mao et al.
Elizabeth Wheeldon et al.
Two supramolecular gelators self-sort, creating hybrid gels with small (ca. 15 nm) and large (ca. 500 nm) nanofibres that reinforce one another rheologically. When assembled in a nonwoven fabric, self-sorting yields a multi-scale material w...
Core packing-dependent metallic transition in thiolate-protected gold nanoclusters: twinned-FCC vs. pure-FCC configurations [0.03%]
硫醇保护金纳米团簇中的核心包封依赖性金属态转变：孪晶fcc和纯fcc构型
Youqiong Fang,Lin Xiong
Youqiong Fang
Herein, we computationally predict two FCC gold nanoclusters, Au212(SR)60 and Au224(SR)72, featuring octahedral Au6 cores at the 200-atom scale. Au224(SR)72 exhibits superior structural stability compared to Au212(SR)60. Spectroscopic and e...
A Si3N4-modified cellulose/glass fiber hybrid separator inhibiting zinc dendrites and cathode dissolution for aqueous zinc-ion batteries [0.03%]
一种抑制锌枝晶和正极溶解的Si3N4修饰纤维素/玻璃纤维复合隔膜用于水系锌离子电池
Sijia Liu,Chao Hu,Liujuan Yang et al.
Sijia Liu et al.
A sandwich-structured separator with Si3N4-modified cellulose nanofiber layers on glass fiber is designed. The modified separator inhibits zinc dendrites through the zincophilicity of Si3N4 and cathode dissolution through weak interactions ...