O2 Activation by Metal Surfaces: Implications for Bonding and Reactivity on Heterogeneous Catalysts

MM Montemore, MA Van Spronsen, RJ Madix… - Chemical …, 2017 - ACS Publications
The activation of O2 on metal surfaces is a critical process for heterogeneous catalysis and
materials oxidation. Fundamental studies of well-defined metal surfaces using a variety of …

Computational fluid dynamics for fixed bed reactor design

AG Dixon, B Partopour - Annual review of chemical and …, 2020 - annualreviews.org
Flow, heat, and mass transfer in fixed beds of catalyst particles are complex phenomena
and, when combined with catalytic reactions, are multiscale in both time and space; …

Gram‐scale synthesis of high‐loading single‐atomic‐site Fe catalysts for effective epoxidation of styrene

Y Xiong, W Sun, P Xin, W Chen, X Zheng… - Advanced …, 2020 - Wiley Online Library
Abstract Single‐atomic‐site (SAS) catalysts, a new frontier of catalysts, always show
extremely high atom efficiency and unexpected catalytic properties. Herein, a pyrolyzing …

Fine cubic Cu2O nanocrystals as highly selective catalyst for propylene epoxidation with molecular oxygen

W Xiong, XK Gu, Z Zhang, P Chai, Y Zang, Z Yu… - Nature …, 2021 - nature.com
Propylene epoxidation with O2 to propylene oxide is a very valuable reaction but remains as
a long-standing challenge due to unavailable efficient catalysts with high selectivity. Herein …

In situ characterization of catalysis and electrocatalysis using APXPS

Y Han, H Zhang, Y Yu, Z Liu - ACS Catalysis, 2021 - ACS Publications
Taking 50 years of effort, ambient pressure X-ray photoelectron spectroscopy (APXPS) has
become a useful characterization tool for studies in heterogeneous catalysis and …

Mechanisms of ethylene epoxidation over silver from machine learning-accelerated first-principles modeling and microkinetic simulations

JX Liu, S Lu, SB Ann, S Linic - ACS Catalysis, 2023 - ACS Publications
We employed machine learning-augmented density functional theory (DFT) thermodynamic
calculations to assess the stability of different AgO x structures under catalytic ethylene …

The mechanism of ethylene epoxidation catalysis

MO Özbek, RA Van Santen - Catalysis letters, 2013 - Springer
Today ethylene oxide can be produced industrially with~ 90% selectivity through the
epoxidation of ethylene over silver catalyst. The past decades there has been a substantial …

Organic chemistry on solid surfaces

Z Ma, F Zaera - Surface science reports, 2006 - Elsevier
Chemistry on solid surfaces is central to many areas of practical interest such as
heterogeneous catalysis, tribology, electrochemistry, and materials processing. With the …

Stable copper nanoparticle photocatalysts for selective epoxidation of alkenes with visible light

Y Huang, Z Liu, G Gao, G Xiao, A Du, S Bottle… - ACS …, 2017 - ACS Publications
Selective epoxidation of various alkenes with molecular oxygen (O2) under mild conditions
is a longstanding challenge in achieving syntheses of epoxides. Cu-based catalysts have …

Carbonyl and olefin adducts of coinage metals supported by poly (pyrazolyl) borate and poly (pyrazolyl) alkane ligands and silver mediated atom transfer reactions

HVR Dias, CJ Lovely - Chemical reviews, 2008 - ACS Publications
Tris (pyrazolyl) borates, first reported about 40 years ago, are a very useful class of
monoanionic, nitrogen-based, auxiliary ligands in coordination and organometallic and …