Penta-Pt 2 N 4: an ideal two-dimensional material for nanoelectronics
Since the discovery of graphene, two-dimensional (2D) materials have paved new ways to
design high-performance nanoelectronic devices. To facilitate applications of such devices …
design high-performance nanoelectronic devices. To facilitate applications of such devices …
Bipolar Doping by Intrinsic Defects and Magnetic Phase Instability in Monolayer CrI3
As a two-dimensional direct band gap semiconductor with unique electronic and magnetic
properties, monolayer chromium triiodide (CrI3) has a great potential for spintronic …
properties, monolayer chromium triiodide (CrI3) has a great potential for spintronic …
An Ab-initio study of the Y decorated 2D holey graphyne for hydrogen storage application
Expanding pollution and rapid consumption of natural reservoirs (gas, oil, and coal) led
humankind to explore alternative energy fuels like hydrogen fuel. Solid-state hydrogen …
humankind to explore alternative energy fuels like hydrogen fuel. Solid-state hydrogen …
Anisotropic elastic modulus, high Poisson's ratio and negative thermal expansion of graphynes and graphdiynes
SA Hernandez, AF Fonseca - Diamond and Related Materials, 2017 - Elsevier
Graphyne (GY) and graphdiyne (GDY) are two-dimensional one-atom-thick carbon
allotropes highly considered to substitute graphene in electronic applications because of the …
allotropes highly considered to substitute graphene in electronic applications because of the …
Penta-CN2 revisited: Superior stability, synthesis condition exploration, negative Poisson's ratio and quasi-flat bands
Abstract Pentagon-based two-dimensional (2D) materials have received tremendous
attention owing to their unique atomic configurations, extraordinary physical and chemical …
attention owing to their unique atomic configurations, extraordinary physical and chemical …
Global search for low-lying crystal structures using the artificial force induced reaction method: A case study on carbon
M Takagi, T Taketsugu, H Kino, Y Tateyama… - Physical Review B, 2017 - APS
We propose an approach to perform the global search for low-lying crystal structures from
first principles, by combining the artificial force induced reaction (AFIR) method and the …
first principles, by combining the artificial force induced reaction (AFIR) method and the …
Design of 2D massless Dirac fermion systems and quantum spin Hall insulators based on sp–sp2 carbon sheets
Grapheneis a massless Dirac fermion system, featuring Dirac points in momentum space. It
was also first identified as a quantum spin Hall (QSH) insulator when considering spin–orbit …
was also first identified as a quantum spin Hall (QSH) insulator when considering spin–orbit …
First-principles study on the adsorption and diffusion properties of non-noble (Fe, Co, Ni and Cu) and noble (Ru, Rh, Pt and Pd) metal single atom on graphyne
Based on first-principles calculations, the adsorption and diffusion behavior of non-noble
(Fe, Co, Ni and Cu) and noble (Ru, Rh, Pt and Pd) metal single atom on graphyne were …
(Fe, Co, Ni and Cu) and noble (Ru, Rh, Pt and Pd) metal single atom on graphyne were …
First principles quantum calculations for graphyne for electronic devices
X Sha, CM Krowne - Nanoscale Advances, 2021 - pubs.rsc.org
Moving beyond traditional 2D materials is now desirable in order to have switching
capabilities (eg, transistors). Here we propose using γ graphyne-n because, as shown in this …
capabilities (eg, transistors). Here we propose using γ graphyne-n because, as shown in this …
Role of Buffer Layer and Building Unit in the Monolayer CrI3 Growth: A First-Principles Perspective
CrI3, a two-dimensional layered material, has recently attracted a lot of research interest due
to its exotic magnetic property. However, the synthesis of a CrI3 monolayer (ML) by vapor …
to its exotic magnetic property. However, the synthesis of a CrI3 monolayer (ML) by vapor …