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 …

Investigations of the intrinsic corrosion and hydrogen susceptibility of metals and alloys using density functional theory

CD Taylor, H Ke - Corrosion Reviews, 2021 - degruyter.com
Mechanisms for materials degradation are usually inferred from electrochemical
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 …

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 …

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 …

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 …

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) …

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 …

Atomically thin pythagorean tilings in two dimensions

AW Huran, HC Wang, A San-Miguel… - The Journal of …, 2021 - ACS Publications
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 …

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 …