Xin-Tian Xie,Zheng-Xin Yang,Dongxiao Chen et al.
Xin-Tian Xie et al.
Atomic simulations aim to understand and predict complex physical phenomena, the success of which relies largely on the accuracy of the potential energy surface description and the efficiency to capture important rare events. LASP software ...
Precision in Sensing [0.03%]
精准传感
J Justin Gooding
J Justin Gooding
Water-Mediated Proton Hopping Mechanisms at the SnO2(110)/H2O Interface from Ab Initio Deep Potential Molecular Dynamics [0.03%]
基于第一性原理的深势分子动力学模拟SnO2(110)表面与水相互作用时的质子输运机制
Mei Jia,Yong-Bin Zhuang,Feng Wang et al.
Mei Jia et al.
The interfacial proton transfer (PT) reaction on the metal oxide surface is an important step in many chemical processes including photoelectrocatalytic water splitting, dehydrogenation, and hydrogen storage. The investigation of the PT pro...
Mechanically Stable and Damage Resistant Freestanding Ultrathin Silver Nanowire Films with Closely Packed Crossed-Lamellar Structure [0.03%]
一种机械稳定且耐损伤的超薄金属纳米线薄膜及其制造方法
Si-Chao Zhang,Huai-Ling Gao,Long Zhang et al.
Si-Chao Zhang et al.
One-dimensional (1D) functional nanowires are widely used as nanoscale building blocks for assembling advanced nanodevices due to their unique functionalities. However, previous research has mainly focused on nanowire functionality, while n...
Proton Transfer Anionic Polymerization of Methyl Methacrylate with Ligands for Dual Control of Molecular Weight and Tacticity [0.03%]
基于配体调控的离子聚合甲基丙烯酸甲酯合成分子量及立构规整性双重可调聚甲基丙烯酸甲酯聚合物
Katsutoshi Sagawa,Mineto Uchiyama,Hironobu Watanabe et al.
Katsutoshi Sagawa et al.
Dual control of the molecular weight and tacticity in proton transfer anionic polymerization (PTAP) of methyl methacrylate (MMA) was investigated by using various ligands in the presence of a bulky potassium base catalyst and an organic com...
Achieving Linear α-Macro-olefins in Ethylene Polymerization through Precisely Tuned Bis(imino)pyridylcobalt Precatalysts with Steric and Electronic Parameters [0.03%]
通过具有空间位阻和电子效应的双(亚氨基)吡啶钴预催化剂实现乙烯聚合制备线性α-烯烃
Kainat Fatima Tahir,Yanping Ma,Qaiser Mahmood et al.
Kainat Fatima Tahir et al.
Synthesis of functional polyethylene from ethylene alone is tricky and heavily dependent on both the type and structure of the precatalyst and the choice of cocatalyst used in the polymerization. In the present study, a series of cobalt pre...
Regulation of Coordinating Anions around Single Co(II) Sites in a Covalent Organic Framework for Boosting CO2 Photoreduction [0.03%]
通过调控共价有机框架中单个Co(II)位点周围的配体来增强CO2光还原反应性能
Nan Dai,Yunyang Qian,Denan Wang et al.
Nan Dai et al.
While photocatalytic CO2 reduction has been intensively investigated, reports on the influence of anions coordinated to catalytic metal sites on CO2 photoreduction remain limited. Herein, different coordinated anions (F-, Cl-, OAc-, and NO3...
Pd-Catalyzed Stereospecific Glycosyl Cross-Coupling of Reversed Anomeric Stannanes for Modular Synthesis of Nonclassical C-Glycosides [0.03%]
钯催化反转苷羟位不对称糖基交叉偶联反应模块化合成非经典C-糖苷类化合物
Guoqiang Cheng,Bo Yang,Yang Han et al.
Guoqiang Cheng et al.
Nonclassical C-glycosides, distinguished by their unique glycosidic bond connection mode, represent a promising avenue for the development of carbohydrate-based drugs. However, the accessibility of nonclassical C-glycosides hinders broader ...
The Coupling of Synthesis and Electrochemistry to Enable the Reversible Storage of Hydrogen as Metal Hydrides [0.03%]
合成与电化学相结合使氢气可逆存储为金属氢化物
Matthew Nava,Lina M Zarnitsa,Martin-Louis Y Riu
Matthew Nava
Given its high gravimetric energy density and status as a clean fuel when derived from renewables, hydrogen (H2) is considered a premier candidate for energy storage; however, its low volumetric density limits its broader application. Chemi...
Jianping Xie
Jianping Xie