Results 161 to 170 of about 49,998 (296)

Reaction kinetics model in liquid and solid phases and its parameterization for room temperature sodium–sulfur battery

open access: yesAIChE Journal, EarlyView.
Abstract A multipore, multiphase, continuum model is assembled for the first time for room temperature sodium–sulfur (RT Na–S) batteries, with Na+ ion transport and redox reactions in the liquid electrolyte phase and semisolid phase of precipitates softened by the electrolyte solvent, as guided by molecular dynamics simulations in this study ...
Hakeem A. Adeoye   +3 more
wiley   +1 more source

Exploring Quantum Support Vector Regression for Predicting Hydrogen Storage Capacity of Nanoporous Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
In this study we employed support vector regressor and quantum support vector regressor to predict the hydrogen storage capacity of metal–organic frameworks using structural and physicochemical descriptors. This study presents a comparative analysis of classical support vector regression (SVR) and quantum support vector regression (QSVR) in predicting ...
Chandra Chowdhury
wiley   +1 more source

Concerted Proton and Electron Transfer in Heterogeneous Electrocatalytic CO2 Reduction

open access: yesAngewandte Chemie, EarlyView.
Concerted proton‐electron transfer (CPET) enables CO2‐to‐CO conversion with significantly reduced energy cost compared to cation‐stabilized pathways. Under controlled mass transport of proton donors, CPET dominates at modest potentials. At higher overpotentials, a cation‐stabilized pathway is found to dominate.
Seonmyeong Noh   +3 more
wiley   +2 more sources

Electrocatalyst development

open access: yes
Report on electrocatalyst development and ...
openaire   +1 more source

Advancements in Graphdiyne‐Based Multiscale Catalysts for Green Hydrogen Energy Conversion

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review systematically explores the fundamental characteristics of graphdiyne (GDY), cutting‐edge field of GDY‐based multiscale catalysts within sustainable energy conversion systems.Special emphasis is placed on the structure‒property relationships in different reactions.
Qian Xiao, Lu Qi, Siao Chen, Yurui Xue
wiley   +1 more source

Unifying Scaling Relations and Multiple Reaction Mechanisms for Screening Transition Metal‐Doped Co3O4 for Oxygen Evolution Reaction

open access: yesAngewandte Chemie, EarlyView.
Doped Co3O4 climbs a mechanistic volcano: transition‐metal substitution reshapes the OER activity landscape, while multiple competing reaction mechanisms govern the volcano trends across different dopants. ABSTRACT Accelerating the discovery of oxygen‐evolution reaction (OER) catalysts requires high‐throughput screening strategies combining descriptor ...
Kapil Dhaka   +7 more
wiley   +2 more sources

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