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Oxygen vacancies boost performance of aqueous zinc ion batteries, study finds

Oxygen vacancies boost performance of aqueous zinc ion batteries, study finds
techxplore.com - get the latest breaking news, showbiz & celebrity photos, sport news & rumours, viral videos and top stories from techxplore.com Daily Mail and Mail on Sunday newspapers.

Yuqi Peng , Li Zhaoqian , Chinese Academy Of Science , Electrochemical Reaction Kinetics , Density Functional Theory , Hefei Institutes , Physical Science , Chinese Academy , Oxygen Vacancies , Charge Transfer , Aqueous Zinc , Ion Batteries ,

Hollow carbon co-doped anatase titanium dioxide spheres hold promise for high-performance metal ion batteries

Hollow carbon co-doped anatase titanium dioxide spheres hold promise for high-performance metal ion batteries
techxplore.com - get the latest breaking news, showbiz & celebrity photos, sport news & rumours, viral videos and top stories from techxplore.com Daily Mail and Mail on Sunday newspapers.

Zhaoqian Li , Li Zhaoqian , Hefei Institutes , Physical Science , Chinese Academy , Localized Electrons Accelerated Ionic , Charge Transfer , Superior Lithium Storage ,

Multistate Energy Decomposition Analysis of Molecular Excited States

Multistate Energy Decomposition Analysis of Molecular Excited States
acs.org - get the latest breaking news, showbiz & celebrity photos, sport news & rumours, viral videos and top stories from acs.org Daily Mail and Mail on Sunday newspapers.

El Salvador , South Korea , United States , City Of , United Kingdom , Van Gisbergen , Diabatic States , J Diabatic States , Fonseca Guerra , Theory Of Intermolecular , Gaussian Inc , K Molecular Orbital Studies Of Hydrogen Bonds , Oxford University Press , Oh Energy , Energy Splittings , Energy Partitioning Procedure For Molecular , K New Energy Decomposition Scheme For Molecular , Weak Hydrogen , Lg Energy , Shenzhen Bay Laboratory , A Natural Energy Decomposition Analysis , A Tale Of Variational Energy Decomposition Analysis , Intermolecular Energy Decomposition Analysis , K Dispersion Energy , Mj Development , Dj Energy ,

"Carbon nanotubes encapsulated transition metals for efficient hydrogen" by Y. Han, X. Mao et al.

Carbon materials are widely used in various industrial applications due to their outstanding stability and robustness in diverse structures, yet it remains a revolutionary and challenging task in activating low-cost carbon materials for efficient catalysis. Herein, inspired by the successful experimental synthesis, we for the first-time exploited carbon nanotubes (CNTs) encapsulated transition metal (TM) atoms (TM@CNTs) for hydrogen evolution reaction (HER) using density functional theory (DFT) calculations. The Gibbs free energy of the H–C bond on the pristine CNTs is too positive, which prevents the adsorption of H atoms. However, TM@CNTs (TM = Fe, Co, Ni) have superior HER activity than those widely recognized Pt and MoS2 catalysts, benefiting from disrupting the π conjugations and activating the stable sp2 hybridizations among carbon atoms in CNTs. A new set of metal-free catalytic surfaces with strong HER activity have been developed. Meanwhile, the HER activity of graphene nan ....

Carbon Nanotube , Charge Transfer , Density Functional Theory , Hydrogen Evolution Reaction , Transition Metal ,

OSC's Fall SUG Conference Unites Users Virtually

COLUMBUS, Ohio, Oct. 22, 2021 The Ohio Supercomputer Center’s (OSC) Statewide Users Group (SUG) Conference on Thursday, Oct. 7, brought researchers ....

United States , Youngstown State University , Ohio University , Ohio State University , Ohio Center , Louis Christensen , Hanna Schuler , Theresia Yazbeck , Alan Chalker , Kamalnath Kadirvel , Alina Lazar , Aurelia Moses , Himanshu Singh , David Hudak , Youngstown State University Alina Lazar , Ohio Supercomputer Center , Ohio University Himanshu Singh , Users Group , Statewide Users Group , Inference Time , Machine Learning Based Track Finding , Equilibrium Adsorption Morphologies , Surfactant Molecules , Metal Surfaces , Texture Evolution , Metal Additive ,