Results 91 to 100 of about 60,171 (287)

Charge localisation on a redox-active single molecule junction and its influence on coherent electron transport

, 2013
For adjusting the charging state of a molecular metal complex in the context of a density functional theory description of coherent electron transport through single molecule junctions, we correct for self interaction effects by fixing the charge on a ...
Kastlunger, Georg, Stadler, Robert
core   +1 more source

Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu, Zhenfeng Li, Yue Fei, Ali Mohammadi, Ge Li   +4 more
wiley   +1 more source

electronegativity

, 2014
Citation: 'electronegativity' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.E01990 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source

Toward Stable Multivalent Metal Batteries: Understanding the Interfacial Chemistry for Magnesium and Calcium Metal Anodes

Advanced Functional Materials, EarlyView.
Interphase chemistry governs the stability of multivalent metal batteries. We summarize state‐of‐the‐art developments in calcium and magnesium metal batteries by focusing on the correlation among electrolytes, interphase layers, and the electrochemical performance of corresponding metal anodes.
Huijun Lin, Qi Meng, Juncai Long, Chuheng Cao, Zheng‐Long Xu   +4 more
wiley   +1 more source

The Additivity of the Energies of Normal Covalent Bonds [PDF]

, 1932
The chemical bond between two identical atoms, as in the molecules H2, Cl2, etc., may be considered as an example of a normal covalent bond, involving an electron pair shared by the two atoms.
Pauling, Linus, Yost, Don M.
core  

First-principles computational study of defect clustering in solid solutions of ThO$_{2}$ with trivalent oxides

, 2010
The energetics of mixing and defect ordering in solid solutions of fluorite-structured ThO$_{2}$ with oxides of trivalent cations (Sc, In, Y, Nd, La) are investigated by electronic density-functional-theory (DFT).
Alexandrov, Vitaly, Asta, Mark, Gronbech-Jensen, Niels, Navrotsky, Alexandra   +3 more
core   +1 more source

Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems

Advanced Functional Materials, EarlyView.
MXenes, as two‐dimensional transition metal carbides and nitrides, demonstrate remarkable capabilities for multifunctional sensing applications. This review systematically examines multi‐scale interface engineering approaches that enhance sensing performance, enable diverse detection functionalities, and improve system‐level compatibility in MXene ...
Jiaying Liao, Sin‐Yi Pang, Jianhua Hao
wiley   +1 more source

Electronegative LDLs from familial hypercholesterolemic patients are physicochemically heterogeneous but uniformly proapoptotic

Journal of Lipid Research, 2007
A highly electronegative fraction of human plasma LDLs, designated L5, has distinctive biological activity that includes induction of apoptosis in bovine aortic endothelial cells (BAECs).
Hsin-hung Chen, Brian D. Hosken, Max Huang, John W. Gaubatz, Christine L. Myers, Ronald D. Macfarlane, Henry J. Pownall, Chao-yuh Yang   +7 more
doaj   +1 more source

Bioactive Conductive Ti3C2Tx‐Ce Hydrogel Facilitates Spinal Cord Injury Repair Through ROS Scavenging and Mitochondrial Regulation

Advanced Functional Materials, EarlyView.
Bioactive conductive Ti3C2Tx‐Ce hydrogels with with scavenging ROS and alleviating neuronal mitochondrial dysfunction are exploited for SCI treatment. This functionality is attributed to interfacial activation modification of Ti3C2Tx with Ce3+ ions to in‐situ form Ce(OH)x‐mediated protective layer, which is beneficial to enabling stable intracellular ...
Weikang Wang, Qing Liu, Ang Lv, Yabin Lin, Jiawei Chen, Ning Ding, Chunlei Zhang, Shuai Zhou, Bo Yuan, Weiwei Zhao, Liming Li, Luping Zhang, Fei Huang   +12 more
wiley   +1 more source

Fermi level alignment in single molecule junctions and its dependence on interface structure

, 2006
The alignment of the Fermi level of a metal electrode within the gap of the highest occupied and lowest unoccupied orbital of a molecule is a key quantity in molecular electronics.
Hammer B, R Stadler, Stadler R
core   +2 more sources