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 …
Theory of nitride oxide adsorption on transition metal (111) surfaces: a first-principles investigation
ZH Zeng, JLF Da Silva, WX Li - Physical Chemistry Chemical Physics, 2010 - pubs.rsc.org
In this work, we report a density functional theory study of nitric oxide (NO) adsorption on
close-packed transition metal (TM) Rh (111), Ir (111), Pd (111) and Pt (111) surfaces in …
close-packed transition metal (TM) Rh (111), Ir (111), Pd (111) and Pt (111) surfaces in …
Binary approach to ternary cluster expansions: NO–O–vacancy system on Pt (111)
Cluster expansions (CEs) provide an exact framework for representing the configurational
energy of interacting adsorbates at a surface. Coupled with Monte Carlo methods, they can …
energy of interacting adsorbates at a surface. Coupled with Monte Carlo methods, they can …
Density functional theory study of the energetics, electronic structure, and core-level shifts of NO adsorption on the Pt (111) surface
In this work, we report a first-principles investigation of the energetics, structures, electronic
properties, and core-level shifts of NO adsorption on the Pt (111) surface. Our calculations …
properties, and core-level shifts of NO adsorption on the Pt (111) surface. Our calculations …
Microcalorimetry of O2 and NO on flat and stepped platinum surfaces
V Fiorin, D Borthwick, DA King - Surface science, 2009 - Elsevier
Using the single-crystal adsorption calorimeter (SCAC), coverage-dependent heats of
adsorption and sticking probabilities are reported for O2 and NO on Pt {111}, Pt {211} and Pt …
adsorption and sticking probabilities are reported for O2 and NO on Pt {111}, Pt {211} and Pt …
Adsorption of NO on the Rh13, Pd13, Ir13, and Pt13 Clusters: A Density Functional Theory Investigation
The adsorption of NO on transition-metal (TM) surfaces has been widely studied by
experimental and theoretical techniques; however, our atomistic understanding of the …
experimental and theoretical techniques; however, our atomistic understanding of the …
The UBI-QEP method: Basic formalism and applications to chemisorption phenomena on transition metal surfaces. Chemisorption energetics
EM Shustorovich, AV Zeigarnik - Russian Journal of Physical Chemistry, 2006 - Springer
The paper reviews the state of the art in the unity bond index-quadratic exponential potential
(UBI-QEP) method. Assumptions made in the framework of the method, as well as their …
(UBI-QEP) method. Assumptions made in the framework of the method, as well as their …
Probing room-temperature reactivity of H 2 S, SO 2, and NO on the Li 2 MnO 3 crystal surface by experimental and first-principles studies
K Rajput, C Hernández-Fontes, NK Gupta… - New Journal of …, 2023 - pubs.rsc.org
This study delves into the surface reactivity of Li2MnO3 towards H2S, SO2 and NO gases at
room temperature, employing both experimental and theoretical calculations. Li2MnO3 was …
room temperature, employing both experimental and theoretical calculations. Li2MnO3 was …
Irreversible change in the NO adsorption state on Pt (111) under high pressure studied by AP-XPS, NEXAFS, and STM
T Shimada, BS Mun, IF Nakai, A Banno… - The Journal of …, 2010 - ACS Publications
Ambient pressure X-ray photoelectron spectroscopy (AP-XPS) has been applied to the
investigation of NO adsorption on Pt (111) under various pressures of NO (up to 1 Torr) at …
investigation of NO adsorption on Pt (111) under various pressures of NO (up to 1 Torr) at …
Density functional theory and ab initio molecular dynamics study of NO adsorption on Pd(111) and Pt(111) surfaces
ZH Zeng, JLF Da Silva, WX Li - Physical Review B—Condensed Matter and …, 2010 - APS
The origin of the unique geometry for nitric oxide (NO) adsorption on Pd (111) and Pt (111)
surfaces as well as the effect of temperature were studied by density functional theory …
surfaces as well as the effect of temperature were studied by density functional theory …