Results 111 to 120 of about 9,091,506 (300)

Semi-empirical model for Henry’s law constant of noble gases in molten salts

Scientific Reports
Henry’s law constant, which describes the proportionality of dissolved gas to partial pressure of free gas in liquid–gas equilibrium systems, can also be applied to mass transport applications.
Kyoung O. Lee, Wesley C. Williams, Joanna McFarlane, David Kropaczek, Dane de Wet   +4 more
doaj   +1 more source

Applied Thermodynamics: Grain Boundary Segregation

Entropy, 2014
Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled by Gibbs energy of segregation.
Pavel Lejček, Lei Zheng, Siegfried Hofmann, Mojmír Šob   +3 more
doaj   +1 more source

Helix Alignment, Chevrons, and Edge Dislocations in Twist‐Bend Ferroelectric Nematics

Advanced Science, EarlyView.
The recently discovered twist‐bend ferroelectric nematic (NTBF) is the new member of the multiferroic family, representing a fluid with an oblique helicoidal (heliconical) periodic structure of spontaneous electric polarization. The work presents a thorough exploration of the material properties of this phase, how the periodic modulation of ...
Bijaya Basnet, Priyanka Kumari, Sathyanarayana Paladugu, Damian Pociecha, Jakub Karcz, Przemysław Kula, Nataša Vaupotič, Ewa Górecka, Oleg D Lavrentovich   +8 more
wiley   +1 more source

Strain-regulated Gibbs free energy enables reversible redox chemistry of chalcogenides for sodium ion batteries. [PDF]

Nat Commun, 2022
Jiang M, Hu Y, Mao B, Wang Y, Yang Z, Meng T, Wang X, Cao M.   +7 more
europepmc   +1 more source

Phase Diagrams and Piezoelectric Properties of Wurtzite Al1−x−yScxGdyN Heterostructural Alloys

Advanced Science, EarlyView.
This study demonstrates ferroelectricity and piezoelectric properties improvement of quaternary wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films, guided by density functional theory calculations. Wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films have a high optical bandgap, enhanced piezoelectric ...
Julia L. Martin, Cheng‐Wei Lee, Nate S.P. Bernstein, Thi Nguyen, Ande Bryan, Eli Cooper, John S. Mangum, Sage R. Bauers, Andriy Zakutayev, Keisuke Yazawa, Prashun Gorai, Rebecca W. Smaha   +11 more
wiley   +1 more source

Synthesis, molecular docking, and binding Gibbs free energy calculation of β-nitrostyrene derivatives: Potential inhibitors of SARS-CoV-2 3CL protease. [PDF]

J Mol Struct, 2023
Jia ZJ, Lan XW, Lu K, Meng X, Jing WJ, Jia SR, Zhao K, Dai YJ.   +7 more
europepmc   +1 more source

The Importance of Metal‐Organic Framework Linker Atoms for CO2 Reduction: A DFT Study

Advanced Science, EarlyView.
Using DFT, we examine the role of linker atoms in CO2 reduction on copper‐based metal organic frameworks (Cu MOFs). Our calculations reveal that linker atoms may serve as both CO2 and H‐shuttling sites and suggest linker electrostatics as a descriptor for linker activity. ABSTRACT Although the metal within the secondary building unit of a metal‐organic
Ugochukwu Nwosu, Samira Siahrostami
wiley   +1 more source

Gibbs free energy (ΔG) values of VPA1349T and rplLT, calculated using Mfold [22].

Gibbs free energy (ΔG) values of VPA1349T and rplLT, calculated using Mfold [22].
Dhira Saraswati Anggramukti (18265176), Mohamad Al Kadi (11987393), Andre Pratama (18265179), Eiji Ishii (529146), Tetsuya Iida (150175), Shigeaki Matsuda (150159), Toshio Kodama (150168)   +6 more
core   +1 more source

Duplex Interpenetrating-Phase FeNiZn and FeNi₃ Heterostructure with Low-Gibbs Free Energy Interface Coupling for Highly Efficient Overall Water Splitting. [PDF]

Nanomicro Lett, 2023
Zhou Q, Xu C, Hou J, Ma W, Jian T, Yan S, Liu H.   +6 more
europepmc   +1 more source

Prediction of Excess Gibbs Free Energy for a New Working Pair CO2-[emim][Tf2N] in Absorption Refrigeration

Zhileng xuebao, 2016
In view of the defects of traditional working pairs such as ammonia system, water system and Freon system,a new working pair, CO2-[emim][Tf2N], was proposed for the absorption refrigeration cycle.
He Lijuan, Zhu Chaoqun, Liang Jingjing
doaj