Atomistic theory of Ostwald ripening and disintegration of supported metal particles under reaction conditions
Understanding Ostwald ripening and disintegration of supported metal particles under
operating conditions has been of central importance in the study of sintering and dispersion …
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
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 …
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 …
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 …
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 …
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 …
catalyst deactivation or be exploited to redisperse sintered catalysts. To better understand …
[HTML][HTML] Catalysis of CN coupling on High-Entropy alloys
Catalyzing carbon–nitrogen (CN) coupling using small abundant nitrogenous molecules is
of growing interest to lessen the environmental impact of the industrial process. High …
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 …
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
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 …
(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 …
and a strong catalysis of metals on EMs could further enhance the combustion performance …