Atomistic theory of Ostwald ripening and disintegration of supported metal particles under reaction conditions

R Ouyang, JX Liu, WX Li - Journal of the American Chemical …, 2013 - ACS Publications
Understanding Ostwald ripening and disintegration of supported metal particles under
operating conditions has been of central importance in the study of sintering and dispersion …

Direct work function measurement by gas phase photoelectron spectroscopy and its application on PbS nanoparticles

S Axnanda, M Scheele, E Crumlin, B Mao, R Chang… - Nano …, 2013 - ACS Publications
Work function is a fundamental property of a material's surface. It is playing an ever more
important role in engineering new energy materials and efficient energy devices, especially …

Adsorption and valence electronic states of nitric oxide on metal surfaces

A Shiotari, H Koshida, H Okuyama - Surface Science Reports, 2021 - Elsevier
Among fundamental diatomic molecules, the adsorption of carbon monoxide (CO) and nitric
oxide (NO) on metal surfaces has been a subject of intensive research in the surface …

Ethanol and water adsorption on close-packed 3d, 4d, and 5d transition-metal surfaces: a density functional theory investigation with van der Waals correction

P Tereshchuk, JLF Da Silva - The Journal of Physical Chemistry C, 2012 - ACS Publications
Nowadays, there is a great interest in the economic success of direct-ethanol fuel cells;
however, our atomistic understanding of the designing of stable and low-cost catalysts for …

Single Pd Atom Embedded in CeO2(111) for NO Reduction with CO: A First-Principles Study

WC Ding, XK Gu, HY Su, WX Li - The Journal of Physical …, 2014 - ACS Publications
Environmental and economic constraints necessitate further improvement of the activity and
selectivity of dispersed Pd, Rh, and Pt metals for use in NO x reduction. We present here a …

CO-and NO-induced disintegration and redispersion of three-way catalysts rhodium, palladium, and platinum: an ab initio thermodynamics study

BR Goldsmith, ED Sanderson… - The Journal of Physical …, 2014 - ACS Publications
Disintegration of supported nanoparticles (NPs) in the presence of reactants can lead to
catalyst deactivation or be exploited to redisperse sintered catalysts. To better understand …

[HTML][HTML] Catalysis of CN coupling on High-Entropy alloys

MK Plenge, JK Pedersen, A Bagger, J Rossmeisl - Journal of Catalysis, 2024 - Elsevier
Catalyzing carbon–nitrogen (CN) coupling using small abundant nitrogenous molecules is
of growing interest to lessen the environmental impact of the industrial process. High …

CO, NO, and SO adsorption on Ni nanoclusters: a DFT investigation

RV de Amorim, KEA Batista, GR Nagurniak… - Dalton …, 2020 - pubs.rsc.org
Nickel nanoclusters are very promising for catalysis-related applications, especially
involving chemical reactions with polluting molecules, such as carbon, nitrogen, and sulfur …

Promoting effect of basic metal additives on DeNOx reactions over Pt-based three-way catalysts

Y Jing, G Wang, S Mine, J Kawai, R Toyoshima… - Journal of …, 2022 - Elsevier
Pt has been economically favored over Rh and Pd. However, Pt-based three-way catalysts
(TWCs) have been studied less than Pd-and Rh-based TWCs; therefore, their properties …

Comparing the Catalytic Effect of Metals for Energetic Materials: Machine Learning Prediction of Adsorption Energies on Metals

X Yang, J Dang, C Zhang, J Li, S Niu, H Gao, B Liu… - Langmuir, 2023 - ACS Publications
Energetic materials (EMs) and metals are the important components of solid propellants,
and a strong catalysis of metals on EMs could further enhance the combustion performance …