Chemical interactions which occur at a heterogeneous interface between a gas and
substrate are critical in many technological and natural processes. Ambient pressure X-ray …

Probing surface chemistry during reactions closer to realistic conditions is crucial for the
understanding of mechanisms in heterogeneous catalysis. Near ambient pressure X-ray …

Different dimensions of carbon materials with various features have captured numerous
interests due to their applications on the tremendous fields. Restricted by the raw materials …

In 2 O 3-supported Ni catalysts exhibit remarkable catalytic activity and selectivity in CO 2
hydrogenation to methanol, but the underlying mechanisms and metal-oxide interactions …

Nickel-based catalysts play an important role in the chemical transformation of CO2. A
fundamental understanding of the interaction between CO2 and Ni surfaces at atomic level …

The interest in understanding and controlling the properties of two-dimensional materials
(2DMs) has fostered in the last years a signficant and multidisciplinary research effort …

The carbon deposition and permeation on nickel surfaces were investigated from
thermodynamic and kinetic aspects by using density functional theory (DFT), ab initio atomic …

The in operando monitoring of catalytic intermediates is crucial for understanding the
reaction mechanism and for optimizing the reaction conditions to improve the efficiency of …

Bimetallic Ni–Cu catalysts feature high activity in CO2 hydrogenation. However, the primary
surface intermediates during reaction are still elusive, making the understanding of the …

Herein, DFT calculations were employed to investigate direct CH 4 catalytic conversion over
MoP (001) surface. On the surface, CH 4 decomposes completely with H 2 formation, while …