Metal–organic frameworks in heterogeneous catalysis: recent progress, new trends, and future perspectives

A Bavykina, N Kolobov, IS Khan, JA Bau… - Chemical …, 2020 - ACS Publications
More than 95%(in volume) of all of today's chemical products are manufactured through
catalytic processes, making research into more efficient catalytic materials a thrilling and …

Unraveling Polysulfide's Adsorption and Electrocatalytic Conversion on Metal Oxides for Li‐S Batteries

S Deng, T Guo, J Heier, C Zhang - Advanced Science, 2023 - Wiley Online Library
Abstract Lithium sulfur (Li S) batteries possess high theoretical capacity and energy
density, holding great promise for next generation electronics and electrical vehicles …

Theoretical heterogeneous catalysis: scaling relationships and computational catalyst design

J Greeley - Annual review of chemical and biomolecular …, 2016 - annualreviews.org
Scaling relationships are theoretical constructs that relate the binding energies of a wide
variety of catalytic intermediates across a range of catalyst surfaces. Such relationships are …

Fe, Co, and Ni ions promote the catalytic activity of amorphous molybdenum sulfide films for hydrogen evolution

D Merki, H Vrubel, L Rovelli, S Fierro, X Hu - Chemical Science, 2012 - pubs.rsc.org
Molybdenum sulfide materials have been shown as promising non-precious catalysts for
hydrogen evolution. This paper describes the study of the promotional effects of certain …

[图书][B] Comprehensive handbook of chemical bond energies

YR Luo - 2007 - taylorfrancis.com
Understanding the energy it takes to build or break chemical bonds is essential for scientists
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …

Principles of dynamic heterogeneous catalysis: surface resonance and turnover frequency response

MA Ardagh, OA Abdelrahman, PJ Dauenhauer - Acs Catalysis, 2019 - ACS Publications
Acceleration of the catalytic transformation of molecules via heterogeneous materials occurs
through design of active binding sites to optimally balance the requirements of all steps in a …

The catalytic mechanics of dynamic surfaces: stimulating methods for promoting catalytic resonance

M Shetty, A Walton, SR Gathmann, MA Ardagh… - ACS …, 2020 - ACS Publications
Transformational catalytic performance in rate and selectivity is obtainable through catalysts
that change on the time scale of catalytic turnover frequency. In this work, dynamic catalysts …

Shape and edge sites modifications of MoS2 catalytic nanoparticles induced by working conditions: a theoretical study

H Schweiger, P Raybaud, G Kresse, H Toulhoat - Journal of Catalysis, 2002 - Elsevier
Determination of the morphology and electronic properties of single-layer nanosize MoS2
particles is of considerable interest for a better understanding of the active phase of …

Ab initio study of the H2–H2S/MoS2 gas–solid interface: The nature of the catalytically active sites

P Raybaud, J Hafner, G Kresse, S Kasztelan… - Journal of …, 2000 - Elsevier
Despite the intense research efforts directed toward understanding the microscopic
mechanism of hydrodesulfurization reactions on transition-metal–sulfide catalysts, the …

Structure, energetics, and electronic properties of the surface of a promoted MoS2 catalyst: an ab initio local density functional study

P Raybaud, J Hafner, G Kresse, S Kasztelan… - Journal of …, 2000 - Elsevier
The determination of the local structure of cobalt-or nickel-promoted MoS2-based
hydrodesulfurization catalysts is of interest for understanding the mechanism leading to an …