Emerging chemical strategies for imprinting magnetism in graphene and related 2D materials for spintronic and biomedical applications

J Tuček, P Błoński, J Ugolotti, AK Swain… - Chemical Society …, 2018 - pubs.rsc.org
Graphene, a single two-dimensional sheet of carbon atoms with an arrangement mimicking
the honeycomb hexagonal architecture, has captured immense interest of the scientific …

Energetics of atomic scale structure changes in graphene

ST Skowron, IV Lebedeva, AM Popov… - Chemical Society …, 2015 - pubs.rsc.org
The presence of defects in graphene has an essential influence on its physical and chemical
properties. The formation, behaviour and healing of defects are determined by energetic …

Probing electron beam induced transformations on a single-defect level via automated scanning transmission electron microscopy

KM Roccapriore, MG Boebinger, O Dyck, A Ghosh… - ACS …, 2022 - ACS Publications
A robust approach for real-time analysis of the scanning transmission electron microscopy
(STEM) data streams, based on ensemble learning and iterative training (ELIT) of deep …

Atomically precise vacancy-assembled quantum antidots

H Fang, H Mahalingam, X Li, X Han, Z Qiu… - Nature …, 2023 - nature.com
Patterning antidots, which are regions of potential hills that repel electrons, into well-defined
antidot lattices creates fascinating artificial periodic structures, leading to anomalous …

Atomistic-scale simulations of defect formation in graphene under noble gas ion irradiation

K Yoon, A Rahnamoun, JL Swett, V Iberi, DA Cullen… - ACS …, 2016 - ACS Publications
Despite the frequent use of noble gas ion irradiation of graphene, the atomistic-scale details,
including the effects of dose, energy, and ion bombardment species on defect formation, and …

Atomic-scale friction between single-asperity contacts unveiled through in situ transmission electron microscopy

X Wang, Z Liu, Y He, S Tan, G Wang, SX Mao - Nature Nanotechnology, 2022 - nature.com
Friction and wear are detrimental to functionality and reduce the service life of products with
mechanical elements. Here, we unveil the atomic-scale friction of a single tungsten asperity …

Atomistic-scale simulations of the chemomechanical behavior of graphene under nanoprojectile impact

K Yoon, A Ostadhossein, ACT Van Duin - Carbon, 2016 - Elsevier
Despite its importance, the mechanical behavior of graphene under the impact of projectiles
has rarely been studied due to experimental and computational difficulties. Here, we …

Multiscale computational understanding and growth of 2D materials: a review

K Momeni, Y Ji, Y Wang, S Paul, S Neshani… - npj Computational …, 2020 - nature.com
The successful discovery and isolation of graphene in 2004, and the subsequent synthesis
of layered semiconductors and heterostructures beyond graphene have led to the exploding …

Exploring order parameters and dynamic processes in disordered systems via variational autoencoders

SV Kalinin, O Dyck, S Jesse, M Ziatdinov - Science Advances, 2021 - science.org
We suggest and implement an approach for the bottom-up description of systems
undergoing large-scale structural changes and chemical transformations from dynamic …

Ultralong 1D Vacancy Channels for Rapid Atomic Migration during 2D Void Formation in Monolayer MoS2

Q Chen, H Li, S Zhou, W Xu, J Chen, H Sawada… - ACS …, 2018 - ACS Publications
High-energy irradiation of materials can lead to void formation due to the aggregation of
vacancies, reducing the local stress in the system. Studying void formation and its interplay …