Understanding the Electric Double-Layer Structure, Capacitance, and Charging Dynamics [0.03%]
理解电双层结构、电容及充电动力学
Jianzhong Wu
Jianzhong Wu
Significant progress has been made in recent years in theoretical modeling of the electric double layer (EDL), a key concept in electrochemistry important for energy storage, electrocatalysis, and multitudes of other technological applicati...
Zhenghao Zhu,Xubo Luo,Stephen J Paddison
Zhenghao Zhu
Ion-containing polymers have continued to be an important research focus for several decades due to their use as an electrolyte in energy storage and conversion devices. Elucidation of connections between the mesoscopic structure and multis...
Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2 [0.03%]
基于方法的分子模拟和预测SARS-CoV-2模型综述
Kaifu Gao,Rui Wang,Jiahui Chen et al.
Kaifu Gao et al.
Despite tremendous efforts in the past two years, our understanding of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), virus-host interactions, immune response, virulence, transmission, and evolution is still very limited. Thi...
Transition Metal Catalysis Controlled by Hydrogen Bonding in the Second Coordination Sphere [0.03%]
配位第二球的氢键控制金属催化
Joost N H Reek,Bas de Bruin,Sonja Pullen et al.
Joost N H Reek et al.
Transition metal catalysis is of utmost importance for the development of sustainable processes in academia and industry. The activity and selectivity of metal complexes are typically the result of the interplay between ligand and metal pro...
Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries [0.03%]
经典、从头算及机器学习分子动力学模拟在二次电池液态电解质中的应用
Nan Yao,Xiang Chen,Zhong-Heng Fu et al.
Nan Yao et al.
Rechargeable batteries have become indispensable implements in our daily life and are considered a promising technology to construct sustainable energy systems in the future. The liquid electrolyte is one of the most important parts of a ba...
Scott M Stagg,Craig Yoshioka,Omar Davulcu et al.
Scott M Stagg et al.
Adeno-associated virus (AAV) has a single-stranded DNA genome encapsidated in a small icosahedrally symmetric protein shell with 60 subunits. AAV is the leading delivery vector in emerging gene therapy treatments for inherited disorders, so...
Atomistic Understanding of Two-dimensional Electrocatalysts from First Principles [0.03%]
从第一性原理理解二维电催化剂的原子机制
Xunhua Zhao,Zachary H Levell,Saerom Yu et al.
Xunhua Zhao et al.
Two-dimensional electrocatalysts have attracted great interest in recent years for renewable energy applications. However, the atomistic mechanisms are still under debate. Here we review the first-principles studies of the atomistic mechani...
Phenalenyl Radical: Smallest Polycyclic Odd Alternant Hydrocarbon Present in the Graphene Sheet [0.03%]
菲平根自由基：石墨烯中存在的最小多环类奇数反式共轭烃分子
Jasimuddin Ahmed,Swadhin K Mandal
Jasimuddin Ahmed
Phenalenyl, a zigzag-edged odd alternant hydrocarbon unit can be found in the graphene nanosheet. Hückel molecular orbital calculations indicate the presence of a nonbonding molecular orbital (NBMO), which originates from the linear combin...
Direct Cell Radiolabeling for in Vivo Cell Tracking with PET and SPECT Imaging [0.03%]
用于体内PET和SPECT成像的细胞直接放射性标记及追踪法
Peter J Gawne,Francis Man,Philip J Blower et al.
Peter J Gawne et al.
The arrival of cell-based therapies is a revolution in medicine. However, its safe clinical application in a rational manner depends on reliable, clinically applicable methods for determining the fate and trafficking of therapeutic cells in...
Pavel Tonkaev,Ivan S Sinev,Mikhail V Rybin et al.
Pavel Tonkaev et al.
Future technologies underpinning multifunctional physical and chemical systems and compact biological sensors will rely on densely packed transformative and tunable circuitry employing nanophotonics. For many years, plasmonics was considere...