2D material science: Defect engineering by particle irradiation

M Schleberger, J Kotakoski - Materials, 2018 - mdpi.com
Two-dimensional (2D) materials are at the heart of many novel devices due to their unique
and often superior properties. For simplicity, 2D materials are often assumed to exist in their …

Implanting germanium into graphene

M Tripathi, A Markevich, R Böttger, S Facsko… - ACS …, 2018 - ACS Publications
Incorporating heteroatoms into the graphene lattice may be used to tailor its electronic,
mechanical and chemical properties, although directly observed substitutions have thus far …

Beam-driven dynamics of aluminium dopants in graphene

G Zagler, M Stecher, A Trentino, F Kraft, C Su… - 2D …, 2022 - iopscience.iop.org
Substituting heteroatoms into graphene can tune its properties for applications ranging from
catalysis to spintronics. The further recent discovery that covalent impurities in graphene can …

Nonadiabatic effects on defect diffusion in silicon-doped nanographenes

DB Lingerfelt, T Yu, A Yoshimura, P Ganesh… - Nano …, 2020 - ACS Publications
Single atom impurities in graphene, substitutional silicon defects in particular, have been
observed to diffuse under electron beam irradiation. However, the relative importance of …

Electron‐beam manipulation of silicon impurities in single‐walled carbon nanotubes

K Mustonen, A Markevich, M Tripathi… - Advanced Functional …, 2019 - Wiley Online Library
The recent discovery that impurity atoms in crystals can be manipulated with focused
electron irradiation has opened novel perspectives for top‐down atomic engineering. These …

High-Level Multireference Investigations on the Electronic States in Single-Vacancy (SV) Graphene Defects Using a Pyrene-SV Model

R Nieman, VP Oliveira, B Jayee… - The Journal of …, 2023 - ACS Publications
The nonplanar character of graphene with a single carbon vacancy (SV) defect is
investigated utilizing a pyrene-SV model system by way of complete-active-space self …

Stability and activity of PdCu clusters embedded on pyridinic N-doped graphene: a density functional theory investigation

D Ruiz-Villalobos, L López-Sosa… - Molecular …, 2023 - Taylor & Francis
The stability and reactivity of Pd6-nCun (n= 0− 3) clusters supported on pyridinic N-doped
graphene (PNG) were investigated using the auxiliary density functional theory method …

[HTML][HTML] H2 Adsorption on Small Pd-Ni Clusters Deposited on N-Doped Graphene: A Theoretical Study

B García-Hilerio, L Santiago-Silva, A Vásquez-García… - C, 2024 - mdpi.com
The study of novel materials for H2 storage is essential to consolidate the hydrogen as a
clean energy source. In this sense, the H2 adsorption on Pd4-nNin (n= 0–3) clusters …

Atomic and electronic structure of graphene

J Kotakoski - Graphene, 2021 - Elsevier
This chapter introduces the atomic and electronic structure of graphene to provide the
reader the necessary basics for following the later chapters with advanced topics. Overviews …

[HTML][HTML] Strain-Induced asymmetry and on-site dynamics of silicon defects in graphene

O Dyck, F Bao, M Ziatdinov, AY Nobakht, K Law… - Carbon Trends, 2022 - Elsevier
In the last decade, the atomically-focused electron beams utilized in scanning transmission
electron microscopes (STEMs) have been shown to induce a broad set of local structural …