Results 91 to 100 of about 271,538 (282)

Additivity of Diene Substituent Gibbs Free Energy Contributions for Diels-Alder Reactions between Me₂C=CMe₂ and Substituted Cyclopentadienes. [PDF]

ACS Omega, 2023
Flemming AS, Dutmer BC, Gilbert TM.
europepmc   +1 more source

Data‐Driven Cation Engineering Guides Electrolyte Design for Sustainable Aqueous Zinc Battery Chemistries

Advanced Materials, EarlyView.
To address the persistent challenges of vanadium dissolution and capacity fading in zinc‐ion batteries, we introduce a cation‐engineered electrolyte strategy underpinned by a data‐driven framework. This approach efficiently and reliably predicts a Na+‐Mg2+‐Zn2+ tri‐cation electrolyte with well‐balanced and sustainable advantages, enabling Zn/VOx ...
Xuesong Xie, Yinfei Lyu, Huorong Ren, Witold Pedrycz, Yifan Li, Yang Yang, Xuehai Tan, Minggang Xie, Yi Guan, Yuxuan Xue, Ning Chen, Zhi Li   +11 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

Solvent‐Mediated Reactivity Control of Lewis‐Paired Dopants as a Versatile Strategy for Tunable and Stable Doping of Organic Semiconductors

Advanced Materials, EarlyView.
Solvent‐mediated reactivity control of Lewis‐paired dopants enables highly efficient, finely tunable, and stable doping of organic semiconductors. The optimally doped semiconductor films exhibit superior thermoelectric performance and doping stability, feature delocalized polarons along structurally ordered polymer backbones, and outperform ...
Sang Beom Kim, Eui Hyun Suh, Taek Seong Lee, Andreas W. Erhardt, Iain McCulloch, Jaeyoung Jang   +5 more
wiley   +1 more source

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

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

Activating a Metallization Switch for Record Hydrogen Evolution in Single‐Atom Modified Polar MOF Piezocatalysts

Advanced Materials, EarlyView.
ABSTRACT Piezocatalytic hydrogen evolution enables the conversion of mechanical energy into chemical fuels, but its efficiency is constrained by a trade‐off between piezoelectric polarization and electronic conductivity. Strong piezoelectric polarization is essential for sufficient driving force, yet highly polar materials typically suffer from poor ...
Chongyan Hao, Xinwei Guan, Yang Wu, Lingfeng Zhu, Yiwen Mai, Thomas Frauenheim, Zhenping Fu, Yalin Lu, Shidong Wang, Hanxing Liu, Hua Hao, Shujun Zhang, Zhenxiang Cheng, Xiaoning Li   +13 more
wiley   +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

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

Pulsed Laser‐Assisted Phase Engineering of Multimetallic Colloidal Nanocrystals With Complex Compositions

Advanced Materials, EarlyView.
The engineering of colloidal nanocrystals with complex compositions has emerged as a highly active area of research within nanomaterials science. This review covers key aspects of colloidal solid‐solution nanocrystal formation using pulsed laser irradiation.
Marina T. Candela, Sergio Triviño‐Sánchez, Andrés Guerrero‐Martínez, Luis M. Liz‐Marzán, Guillermo González‐Rubio   +4 more
wiley   +1 more source