Results 91 to 100 of about 240,874 (239)

High-pressure behavior of dense hydrogen up to 3.5 TPa from density functional theory calculations

, 2012
Structural behavior and equation of state of atomic and molecular crystal phases of dense hydrogen at pressures up to 3.5 TPa are systematically investigated with density functional theory. The results indicate that the Vinet EOS model that fitted to low-
Geng, Hua Y., Li, J. F., Song, Hong X., Wu, Q.   +3 more
core   +1 more source

On Low-Barrier Hydrogen Bonds and Enzyme Catalysis [PDF]

Science, 1995
A, Warshel, A, Papazyan, P A, Kollman
openaire   +2 more sources

A pH-sensitive film based on chitosan/gelatin and anthocyanin from Zingiber striolatum Diels for monitoring fish freshness

Food Chemistry: X
As a new type of packaging method, the anthocyanin-based pH-sensitive indicator film has gained much attention owing to low cost, small size, and visually informative property. In this study, an intelligent film based on chitosan/gelatin (CG) matrix with
Yuyue Qin, Yurou Wang, Zhenya Tang, Kejun Chen, Zhengxuan Wang, Guiguang Cheng, Hai Chi, Thanapop Soteyome   +7 more
doaj   +1 more source

Insigths into the tribochemistry of silicon-doped carbon based films by ab initio analysis of water/surface interactions

, 2015
Diamond and diamond-like carbon (DLC) are used as coating materials for numerous applications, ranging from biomedicine to tribology. Recently, it has been shown that the hydrophilicity of the carbon films can be enhanced by silicon doping, which highly ...
Kajita, Seiji, Righi, M. C.
core   +1 more source

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

L-Serine–Incorporated Collagen Scaffolds for Modulating In Vivo Degradation Behavior

Journal of Functional Biomaterials
Collagen-based biomaterials are widely used, but their relatively rapid biodegradation can limit functional duration. Such collagen constructs are widely used as barrier membranes in guided tissue and bone regeneration, where controlled degradation is ...
Su-Young Kim, Ji-Hyeon Oh, Min-Ho Hong, Joon Ha Lee, You-Young Jo, Seong-Gon Kim   +5 more
doaj   +1 more source

High-performance hydrogen energy generation via innovative metal-organic framework catalysts and integrated system design

Scientific Reports
Hydrogen energy generation faces challenges in efficiency and economic viability due to reliance on scarce noble metal catalysts. This study aimed to develop platinum-doped nickel-iron metal-organic framework (Pt-NiFe-MOF) catalysts with controlled metal
Kenzhebatyr Zh. Bekmyrza, Kairat A. Kuterbekov, Asset M. Kabyshev, Marzhan M. Kubenova, Aliya A. Baratova, Nursultan Aidarbekov, Mesfin Diro Chaka, Natei Ermias Benti   +7 more
doaj   +1 more source

Effect of TiO₂ Content on the Corrosion and Thermal Resistance of Plasma-Sprayed Al₂O₃-TiO₂ Coatings

Crystals
Modern industrial systems and biomass-fired furnaces require surface treatments that can withstand aggressive chemical, thermal, and corrosive environments.
Viktorija Grigaitienė, Liutauras Marcinauskas, Airingas Šuopys, Romualdas Kėželis, Egidijus Griškonis   +4 more
doaj   +1 more source

Hydroxylation Structure and Proton Transfer Reactivity at the Zinc Oxide-Water Interface [PDF]

, 2011
The hydroxylation structural features of the first adsorption layer and its connection to proton transfer reactivity have been studied for the ZnO-liquid water interface at room temperature. Molecular dynamics simulations employing the ReaxFF forcefield
Goddard, William A., III, Hermansson, Kersti, Raymand, David, Spångberg, Daniel, van Duin, Adri C. T.   +4 more
core  

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