Recent advances in 2D material theory, synthesis, properties, and applications
Two-dimensional (2D) material research is rapidly evolving to broaden the spectrum of
emergent 2D systems. Here, we review recent advances in the theory, synthesis …
emergent 2D systems. Here, we review recent advances in the theory, synthesis …
Molecular dynamics simulations in semiconductor material processing: A comprehensive review
Y Yun, S Wu, D Wang, X Luo, J Chen, G Wang… - Measurement, 2024 - Elsevier
Molecular dynamics (MD) simulations have become a pivotal tool in the nanofabrication of
semiconductor materials, a key area of contemporary semiconductor process research. This …
semiconductor materials, a key area of contemporary semiconductor process research. This …
Discovering atomistic pathways for supply of metal atoms from methyl-based precursors to graphene surface
Conceptual 2D group III nitrides and oxides (eg, 2D InN and 2D InO) in heterostructures with
graphene have been realized by metal–organic chemical vapor deposition (MOCVD) …
graphene have been realized by metal–organic chemical vapor deposition (MOCVD) …
A ReaxFF molecular dynamics study of polycyclic aromatic hydrocarbon oxidation assisted by nitrogen oxides
Fossil fuel-derived soot poses a persistent problem. A joint reduction is conducted via the
reaction between NO x and soot. The underlying reaction mechanisms of large polycyclic …
reaction between NO x and soot. The underlying reaction mechanisms of large polycyclic …
Modeling and simulations for 2D materials: a ReaxFF perspective
Recent advancements in the field of two-dimensional (2D) materials have led to the
discovery of a wide range of 2D materials with intriguing properties. Atomistic-scale …
discovery of a wide range of 2D materials with intriguing properties. Atomistic-scale …
Watching (De) Intercalation of 2D metals in epitaxial graphene: insight into the role of defects
Intercalation forms heterostructures, and over 25 elements and compounds are intercalated
into graphene, but the mechanism for this process is not well understood. Here, the de …
into graphene, but the mechanism for this process is not well understood. Here, the de …
In-depth understanding of the microscopic mechanism of biochar carbonaceous structures during thermochemical conversion: Pyrolysis, combustion and gasification
The thermochemical utilization of biomass char is vital for addressing environmental
pollution and the energy crisis. The carbonaceous structure plays a crucial role in this …
pollution and the energy crisis. The carbonaceous structure plays a crucial role in this …
Heterostructures coupling ultrathin metal carbides and chalcogenides
Non-layered transition metal carbides (TMCs) and layered transition metal dichalcogenides
(TMDs) are two well-studied material families that have individually received considerable …
(TMDs) are two well-studied material families that have individually received considerable …
Toward a Mechanistic Understanding of the Formation of 2D-GaNx in Epitaxial Graphene
Ultrathin 2D-GaN x can be formed by Ga intercalation into epitaxial graphene (EG) on SiC
followed by nitridation in ammonia. Defects in the graphene provide routes for intercalation …
followed by nitridation in ammonia. Defects in the graphene provide routes for intercalation …
[HTML][HTML] Atomic-scale characterization of defects in oxygen plasma-treated graphene by scanning tunneling microscopy
Defects in graphene are important nanoscale pathways for metal atoms to enter the interface
between epitaxial graphene and SiC in order to form stable ultrathin metal layers with new …
between epitaxial graphene and SiC in order to form stable ultrathin metal layers with new …