Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces

H Li, K Shin, G Henkelman - The Journal of chemical physics, 2018 - pubs.aip.org
Alloying elements with strong and weak adsorption properties can produce a catalyst with
optimally tuned adsorbate binding. A full understanding of this alloying effect, however, is …

The progress in understanding the mechanisms of methanol and formic acid electrooxidation on platinum group metals (a review)

OA Petrii - Russian Journal of Electrochemistry, 2019 - Springer
The reactions of electrooxidation of methanol and formic acid pertain to the most important
model electrocatalytic processes and are used in direct low-temperature fuel cells. The …

Recent advances in anode electrocatalysts for direct formic acid fuel cells–part i–fundamentals and Pd based catalysts

SK Safdar Hossain, J Saleem… - The Chemical …, 2022 - Wiley Online Library
Direct formic acid fuel cells (DFAFCs) have gained immense importance as a source of
clean energy for portable electronic devices. It outperforms other fuel cells in several key …

Selective hydrogen production from formic acid decomposition on Pd–Au bimetallic surfaces

WY Yu, GM Mullen, DW Flaherty… - Journal of the American …, 2014 - ACS Publications
Pd–Au catalysts have shown exceptional performance for selective hydrogen production via
HCOOH decomposition, a promising alternative to solve issues associated with hydrogen …

Dehydrogenation selectivity of ethanol on close-packed transition metal surfaces: a computational study of monometallic, Pd/Au, and Rh/Au catalysts

H Li, G Henkelman - The Journal of Physical Chemistry C, 2017 - ACS Publications
Ethanol (EtOH) decomposition has been widely studied in recent years. However, the initial
dehydrogenation selectivity on catalytic surfaces, which plays a crucial role in EtOH partial …

Ethanol decomposition on Pd–Au alloy catalysts

H Li, EJ Evans Jr, CB Mullins… - The Journal of Physical …, 2018 - ACS Publications
The mechanisms of ethanol (EtOH) decomposition via C–C or C–O bond cleavage on alloy
surfaces are currently not well understood. In this study, we model EtOH decomposition on …

Mechanistic insights on ethanol dehydrogenation on Pd–Au model catalysts: a combined experimental and DFT study

EJ Evans, H Li, WY Yu, GM Mullen… - Physical Chemistry …, 2017 - pubs.rsc.org
In this study, we have combined ultra-high vacuum (UHV) experiments and density
functional theory (DFT) calculations to investigate ethanol (EtOH) dehydrogenation on Pd …

Recent advances in heterogeneous catalytic hydrodeoxygenation of biomass-derived oxygenated furanics mediated by formic acid

S Mudhulu, ZJ Gong, HC Ku, YH Lu, WY Yu - Materials Today Sustainability, 2022 - Elsevier
The hydrodeoxygenation is a prominent valorization approach to upgrade biomass-derived
platform compounds, ie furfural (FF) and 5-hydroxymethylfurfural (HMF), into the value …

Bimetallic PdAu catalysts for formic acid dehydrogenation

JL Santos, C Leon, G Monnier, S Ivanova… - International Journal of …, 2020 - Elsevier
A series of monometallic and bimetallic palladium gold catalyst were prepared and studied
for the formic acid dehydrogenation reaction. Different Pd/Au compositions were employed …

New Insight into the Decomposition Mechanism of Formic Acid on Pd(111): Competing Formation of CO2 and CO

Y Wang, Y Qi, D Zhang, C Liu - The Journal of Physical Chemistry …, 2014 - ACS Publications
While the high performance for electrooxidation of formic acid (HCOOH) has been
recognized, Pd-based catalysts still suffer from CO poisoning, even though they are much …