Atomistic modeling of electrocatalysis: Are we there yet?

N Abidi, KRG Lim, ZW Seh… - Wiley Interdisciplinary …, 2021 - Wiley Online Library
Electrified interfaces play a prime role in energy technologies, from batteries and capacitors
to heterogeneous electrocatalysis. The atomistic understanding and modeling of these …

Metal-support interactions in heterogeneous catalytic hydrogen production of formic acid

S Bai, A Jia, J Song, S Cao, N Wang, X Liu - Chemical Engineering Journal, 2023 - Elsevier
Hydrogen (H 2) is regarded as a novel energy carrier with huge development potential, and
it will be essential in future clean energy systems. Given the existing challenges in direct H 2 …

An interactive study of catalyst and mechanism for electrochemical CO2 reduction to formate on Pd surfaces

TW Jiang, X Qin, K Ye, WY Zhang, H Li, W Liu… - Applied Catalysis B …, 2023 - Elsevier
Electrochemical CO 2 reduction reaction to formate (CO 2 RRTF) on Pd-based surfaces
merits very low overpotentials, yet is challenged with identification of a high-performance …

Achieving ultra-high selectivity to hydrogen production from formic acid on Pd–Ag alloys

M Karatok, HT Ngan, X Jia, CR O'Connor… - Journal of the …, 2023 - ACS Publications
Palladium–silver-based alloy catalysts have a great potential for CO-free hydrogen
production from formic acid for fuel cell applications. However, the structural factors affecting …

Probing the enhanced methanol electrooxidation mechanism on platinum-metal oxide catalyst

YW Zhou, YF Chen, K Jiang, Z Liu, ZJ Mao… - Applied Catalysis B …, 2021 - Elsevier
Pt-metal oxide nanocomposites are classified as an alternative promising catalyst besides Pt-
Ru nanoalloys for electrochemical methanol oxidation reaction (MOR), and yet the relevant …

Size-dependent catalytic activity over carbon-supported palladium nanoparticles in dehydrogenation of formic acid

J Li, W Chen, H Zhao, X Zheng, L Wu, H Pan, J Zhu… - Journal of catalysis, 2017 - Elsevier
Hydrogen generation from formic acid (FA) under mild conditions has received significant
attention, where Pd-based catalysts have been widely employed due to their superior …

Potential Effects on the Catalytic Mechanisms of OER and ORR

Q Zhang, Y Zhang, S Zhang, G Gao - The Journal of Physical …, 2023 - ACS Publications
A fundamental understanding of the catalytic mechanisms of the oxygen evolution reaction
(OER) and the oxygen reduction reaction (ORR) at applied electrode potentials is crucial for …

Pd Nanoalloys for H2 Generation from Formic Acid

E Doustkhah, M Hasani, Y Ide… - ACS Applied Nano …, 2019 - ACS Publications
Sourcing our ever-increasing demand for energy to power our high-paced and energy-
thirsty industries poses a never-ending challenge. Therefore, many academic, industrial …

Unprecedented catalytic performance in amine syntheses via Pd/gC 3 N 4 catalyst-assisted transfer hydrogenation

X Xu, J Luo, L Li, D Zhang, Y Wang, G Li - Green Chemistry, 2018 - pubs.rsc.org
The preparation of amine compounds is very important for both the chemical industry and
renewable feedstock processing. Nevertheless, difficulties remain in finding a catalytic …

How to gain atomistic insights on reactions at the water/solid interface?

SN Steinmann, C Michel - ACS Catalysis, 2022 - ACS Publications
Reactions at the water/solid interface are central to the development of sustainable
processes, from biomass upgrading to photo-and electrocatalysis. To gain atomistic insight …