Total-reflection high-energy positron diffraction (TRHEPD) for structure determination of the topmost and immediate sub-surface atomic layers

Y Fukaya, A Kawasuso, A Ichimiya… - Journal of Physics D …, 2018 - iopscience.iop.org
Total-reflection high-energy positron diffraction (TRHEPD) has recently been developed to
investigate the surface structure (atomic geometry) and surface properties of materials. It is …

Formation and properties of metallic atomic chains and wires

AG Syromyatnikov, SV Kolesnikov, AM Saletsky… - Physics …, 2021 - iopscience.iop.org
We discuss the current state of a promising area of modern physics, the study of the physical
properties of metal nanowires and atomic chains. One-dimensional nanostructures are …

Interaction of H2O with the Platinum Pt (001), (011), and (111) Surfaces: A Density Functional Theory Study with Long-Range Dispersion Corrections

MJ Ungerer, D Santos-Carballal… - The Journal of …, 2019 - ACS Publications
Platinum is a noble metal that is widely used for the electrocatalytic production of hydrogen,
but the surface reactivity of platinum toward water is not yet fully understood, even though …

Electronic and optical properties of PbFCl and PbFI monolayers using density functional theory and beyond

M Barhoumi, M Said - Materials Chemistry and Physics, 2020 - Elsevier
In the two years, the TMDs materials perform a hugely great role in that they represent other
resources of getting a material with bandgap energy and stable dynamically for electronics …

Atomic structure of self-organizing iridium induced nanowires on Ge (001)

NS Kabanov, R Heimbuch, HJW Zandvliet… - Applied Surface …, 2017 - Elsevier
The atomic structure of self-organizing iridium (Ir) induced nanowires on Ge (001) is studied
by density functional theory (DFT) calculations and variable-temperature scanning tunneling …

Reply to 'comment on “extending Hirshfeld‐I to bulk and periodic materials”'

DEP Vanpoucke, I Van Driessche… - Journal of …, 2013 - Wiley Online Library
The issues raised in the comment by Manz are addressed through the presentation of
calculated atomic charges for NaF, NaCl, MgO, SrTiO _3, and La _2 Ce _2 O _7, using our …

Modeling 1D structures on semiconductor surfaces: synergy of theory and experiment

DEP Vanpoucke - Journal of Physics: Condensed Matter, 2014 - iopscience.iop.org
Atomic scale nanowires attract enormous interest in a wide range of fields. On the one hand,
due to their quasi-one-dimensional nature, they can act as an experimental testbed for …

[HTML][HTML] Quasi-1D physics in metal-organic frameworks: MIL-47 (V) from first principles

DEP Vanpoucke, JW Jaeken… - Beilstein journal of …, 2014 - beilstein-journals.org
The geometric and electronic structure of the MIL-47 (V) metal-organic framework (MOF) is
investigated by using ab initio density functional theory (DFT) calculations. Special focus is …

Atomic configuration and phase transition of Pt-induced nanowires on a Ge (001) surface studied using scanning tunneling microscopy, reflection high-energy …

I Mochizuki, Y Fukaya, A Kawasuso, K Yaji… - Physical Review B …, 2012 - APS
The atomic configuration and electronic band structure of Pt-induced nanowires on a Ge
(001) surface are investigated using scanning tunneling microscopy, reflection high-energy …

Uncovering the Self-Organized Nanowires on Au-Modified Ge (001) Surfaces

J Lyu, ZM Wong, H Sun, SW Yang… - The Journal of Physical …, 2021 - ACS Publications
A fundamental understanding of the atomic and electronic structures of metallic nanowires
(NWs) on semiconductors is critical for micro-or molecular electronics. The deposition of Au …