Adsorption of halogens on metal surfaces
BV Andryushechkin, TV Pavlova, KN Eltsov - Surface Science Reports, 2018 - Elsevier
This paper presents a review of the experimental and theoretical investigations of halogen
interaction with metal surfaces. The emphasis was placed on the recent measurements …
interaction with metal surfaces. The emphasis was placed on the recent measurements …
Investigations of the intrinsic corrosion and hydrogen susceptibility of metals and alloys using density functional theory
Mechanisms for materials degradation are usually inferred from electrochemical
measurements and characterization performed before, during, and after exposure testing …
measurements and characterization performed before, during, and after exposure testing …
Reduced collinearity, low-dimensional cluster expansion model for adsorption of halides (Cl, Br) on Cu (100) surface using principal component analysis
B Dash, S Haque, A Chatterjee - arXiv preprint arXiv:2307.11698, 2023 - arxiv.org
The cluster expansion model (CEM) provides a powerful computational framework for rapid
estimation of configurational properties in disordered systems. However, the traditional CEM …
estimation of configurational properties in disordered systems. However, the traditional CEM …
Unraveling the collinearity in short-range order parameters for lattice configurations arising from topological constraints
A Chatterjee - The Journal of Chemical Physics, 2024 - pubs.aip.org
In multicomponent lattice problems, for example, in alloys and at crystalline surfaces and
interfaces, atomic arrangements exhibit spatial correlations that dictate the kinetic and …
interfaces, atomic arrangements exhibit spatial correlations that dictate the kinetic and …
The adsorption of halogen molecules on Ti (110) surface
DM Tshwane, R Modiba, G Govender… - Journal of Materials …, 2021 - Springer
Adsorption of halogen on the metal surface has received much attention due to its
technological applications and major relevance for material surface processing, corrosion …
technological applications and major relevance for material surface processing, corrosion …
Bromine adsorption and thermal stability on Rh (111): a combined XPS, LEED and DFT study
EM Freiberger, J Steffen… - …, 2023 - Wiley Online Library
This study addresses a fundamental question in surface science: the adsorption of halogens
on metal surfaces. Using synchrotron radiation‐based high‐resolution X‐ray photoelectron …
on metal surfaces. Using synchrotron radiation‐based high‐resolution X‐ray photoelectron …
Molecular insight into on-surface chemistry of an organometallic polymer
Y Lin, M Diao, J Dai, Z Xu, X Zhao, X Wen… - Physical Chemistry …, 2023 - pubs.rsc.org
A molecular investigation of Cu-elimination and subsequent C–C coupling of DCTP (4,
4′′-dichloro-1, 1′: 3′, 1′′-terphenyl)-Cu organometallic (OM) polymers on Cu (111) …
4′′-dichloro-1, 1′: 3′, 1′′-terphenyl)-Cu organometallic (OM) polymers on Cu (111) …
First-principle study of adsorption and desorption of chlorine on Cu (111) surface: does chlorine or copper chloride desorb?
TV Pavlova, BV Andryushechkin… - The Journal of Physical …, 2016 - ACS Publications
First-principle density-functional calculations have been applied to study the interaction of
molecular chlorine with the (111) plane of copper. Using transition-state search method, we …
molecular chlorine with the (111) plane of copper. Using transition-state search method, we …
Atomically thin pythagorean tilings in two dimensions
We perform a theoretical study of an atomically thin, two-dimensional layer obtained by
positioning atoms at the vertices of the classical Pythagorean tiling. This leads to an unusual …
positioning atoms at the vertices of the classical Pythagorean tiling. This leads to an unusual …
Atomic structure and peculiarities of the electronic properties of Br layers on Ag (111) at different coverages
A Seliverstov, D Muzychenko, A Volodin, E Janssens… - Surface Science, 2023 - Elsevier
The structure and electronic properties of Br layers on Ag (111) at different coverage were
studied by low-temperature scanning tunnelling microscopy, scanning tunnelling …
studied by low-temperature scanning tunnelling microscopy, scanning tunnelling …