Results 111 to 120 of about 218,969 (305)

Localized Structural and Electronic Perturbations Induced by Mono-Vacancy in MgH₂: A Comprehensive First-Principles Investigation

Crystals
In the pursuit of sustainable energy, magnesium hydride (MgH2) stands out as a promising candidate for hydrogen storage due to its high capacity. Nevertheless, its high thermodynamic stability necessitates elevated operating temperatures, thereby ...
Lei Bao, Jun Shi, Qichi Le
doaj   +1 more source

Graphene Multi-Protonation: a Cooperative Mechanism for Proton Permeation

, 2018
The interaction between protons and graphene is attracting a large interest due to recent experiments showing that these charged species permeate through the 2D material following a low barrier (~ 0.8 eV) activated process.
Bartolomei, Massimiliano, Campos-Martınez, José, Hernández, Marta I., Lamoneda, Ramón Hernández   +3 more
core   +1 more source

Integration of Cobalt Ferromagnetic Control Gates for Electrical and Magnetic Manipulation of Semiconductor Quantum Dots

Advanced Functional Materials, EarlyView.
This work integrates nano‐sized cobalt control gates into a fully‐depleted silicon‐on‐insulator (FDSOI) nanowire architecture, combining electrical and ferromagnetic properties for scalable electron spin qubits. The design enables quantum dot formation at cryogenic temperatures and localized electric dipole spin resonance (EDSR).
Fabio Bersano, Michele Aldeghi, Niccolò Martinolli, Victor Boureau, Thibault Aboud, Michele Ghini, Pasquale Scarlino, Gian Salis, Adrian M. Ionescu   +8 more
wiley   +1 more source

Mechanisms of glycine formation in cold interstellar media: a theoretical study

Royal Society Open Science
The possibility of the formation of glycine (Gly) from fundamental gas molecules in cold interstellar media was studied using quantum chemical methods, transition state theory and microcanonical molecular dynamics simulations with surface hopping ...
Pannipa Panajapo, Parichart Suwannakham, Phorntep Promma, Kritsana Sagarik   +3 more
doaj   +1 more source

Electronic structure and stability of hydrogen defects in diamond and boron doped diamond: A density functional theory study [PDF]

arXiv, 2014
Isolated hydrogen and hydrogen pairs in bulk diamond matrix have been studied using density functional theory calculations. The electronic structure and stability of isolated and paired hydrogen defects are investigated at different possible lattice sites in pure diamond and boron doped diamond.
arxiv  

Optical Hydrogen Sensing Materials for Applications at Sub‐Zero Temperatures

Advanced Functional Materials, EarlyView.
This study demonstrates the viability of optical hydrogen sensors at temperatures as low as −60°C. Using advanced metal hydride materials, the sensors detect hydrogen with high sensitivity, speed, and stability across a wide range of concentrations. These findings open doors for safe hydrogen detection in extreme cold, enabling applications in aviation,
Ziqing Yuan, Herman Schreuders, Robert Dankelman, Bernard Dam, Lars J. Bannenberg   +4 more
wiley   +1 more source

Hierarchically Engineered Triple‐Defensive Antifouling Coating with Well‐Regulated Structure for Enhanced Wastewater Treatment

Advanced Functional Materials, EarlyView.
Inspired by shark skin, which has a hydrophilic “denticle layer” and a low surface energy “mucus layer,” a triple‐defense antifouling coating is developed. This coating features a robust hydrophilic catalytic nanoparticle layer overlaid with dispersed hydrophobic perfluoro‐silane domains, optimizing fouling resistance, release, and degradation for ...
Wenshuai Yang, Dan Yang, Ziqian Zhao, Charley Huang, Bin Yan, Yun Liu, Ling Zhang, Lu Gong, Hongbo Zeng   +8 more
wiley   +1 more source

The Influence of the Structure of Organochlorine Compounds on Their Decomposition Process in a Dielectric Barrier Discharge

Reactions
The decomposition efficiency of C2HCl3 and CHCl3 in a barrier discharge is very different, even though these compounds differ little in chemical composition. In both compounds, there are three chlorine atoms and one hydrogen atom.
Bogdan Ulejczyk
doaj   +1 more source

Rotation of hydrogen molecules during the dissociative adsorption on the Mg(0001) surface: A first-principles study

, 2011
Using first-principles calculations, we systematically study the potential energy surfaces and dissociation processes of the hydrogen molecule on the Mg(0001) surface.
Amonenko V, Darling G R, Huber K P, King D A, Li Yan-Fang, Song Hong-Zhou, Sun Bo, Wei Ying-Hui, Yang Yu, Zhang Ping   +9 more
core   +1 more source

The Low Barrier Hydrogen Bond in Enzymatic Catalysis [PDF]

Journal of Biological Chemistry, 1998
Perry A. Frey, W. Wallace Cleland, John A. Gerlt   +2 more
openaire   +3 more sources