The design of heterogeneous catalysts relies on understanding the fundamental surface
kinetics that controls catalyst performance, and microkinetic modeling is a tool that can help …

Developments in water gas shift (WGS) catalysis, especially during the last decade, are
reviewed. Recent developments include the development of chromium‐free catalysts that …

Preferential oxidation of CO (PROX) is an important reaction for removing small amounts of
CO to a parts-per-million level from the hydrogen-rich stream, which will be ultimately …

We review and provide a perspective on multiscale modeling of catalytic reactions with
emphasis on mechanism development and application to complex and emergent systems …

The in situ growth of 2D metal–organic framework (MOF) nanosheet arrays on conductive
substrates as self-supported electrodes is highly desirable but challenging. Herein, we …

The conversion of CO2 into fuels and chemicals is viewed as an attractive route for
controlling the atmospheric concentration and recycling of this greenhouse gas, but its …

We present a theoretical and computational analysis to elucidate the relation of the Brønsted–
Evans–Polanyi (BEP) and transition state scaling (TSS) correlations. We find that the TSS …

Upcycling of carbon dioxide towards fuels and value-added chemicals poses an opportunity
to overcome challenges faced by depleting fossil fuels and climate change. Herein …

Phenolic compounds constitute a sizable fraction of depolymerized biomass and are an
ideal feedstock for the production of chemicals such as benzene and toluene. However …

Self-supporting metal-organic framework (MOF) with a hybrid structure has recently attracted
significant interest as a novel electrocatalyst for water splitting. Herein, a binder-free 2D–3 D …