[HTML][HTML] A Review of Bandgap Engineering and Prediction in 2D Material Heterostructures: A DFT Perspective
The advent of two-dimensional (2D) materials and their capacity to form van der Waals
(vdW) heterostructures has revolutionized numerous scientific fields, including electronics …
(vdW) heterostructures has revolutionized numerous scientific fields, including electronics …
Interlayer coupling and electric field controllable Schottky barriers and contact types in graphene/ heterostructures
CV Nguyen, M Idrees, HV Phuc, NN Hieu, NTT Binh… - Physical Review B, 2020 - APS
Van der Waals heterostructures, created by putting graphene on other two-dimensional
semiconducting materials, have become an effective strategy to enhance the physical …
semiconducting materials, have become an effective strategy to enhance the physical …
Diffusion mechanism and electrochemical investigation of 1T phase Al–MoS2@ rGO nano-composite as a high-performance anode for sodium-ion batteries
We report the electrochemical investigation of 5% Al doped MoS 2@ rGO composite as a
high-performance anode for sodium (Na)-ion batteries. The x-ray diffraction (XRD), Raman …
high-performance anode for sodium (Na)-ion batteries. The x-ray diffraction (XRD), Raman …
Interlayer coupling and electric field tunable electronic properties and Schottky barrier in a graphene/bilayer-GaSe van der Waals heterostructure
HV Phuc, NN Hieu, BD Hoi, CV Nguyen - Physical Chemistry Chemical …, 2018 - pubs.rsc.org
In this work, using density functional theory we investigated systematically the electronic
properties and Schottky barrier modulation in a multilayer graphene/bilayer-GaSe …
properties and Schottky barrier modulation in a multilayer graphene/bilayer-GaSe …
Structural stability, tunable electronic and optical properties of two-dimensional WS2 and GaN heterostructure: First-principles calculations
H Shu - Materials Science and Engineering: B, 2020 - Elsevier
Based on first-principles calculations, we explore the structural, electronic and optical
properties of WS 2/GaN heterostructure and its response to strain. Calculations reveal that in …
properties of WS 2/GaN heterostructure and its response to strain. Calculations reveal that in …
Structural and electronic properties of a van der Waals heterostructure based on silicene and gallium selenide: effect of strain and electric field
PTT Le, NN Hieu, LM Bui, HV Phuc, BD Hoi… - Physical Chemistry …, 2018 - pubs.rsc.org
Combining van der Waals heterostructures by stacking different two-dimensional materials
on top of each other layer-by-layer can enhance their desired properties and greatly extend …
on top of each other layer-by-layer can enhance their desired properties and greatly extend …
Computational prediction of electronic and optical properties of Janus Ga2SeTe monolayer
Janus group III monochalcogenide structures, which are predicted to have many promising
applications in optoelectronics and photocatalytic water splitting, have been of particular …
applications in optoelectronics and photocatalytic water splitting, have been of particular …
[HTML][HTML] Electronic and optical properties of van der Waals vertical heterostructures based on two-dimensional transition metal dichalcogenides: First-principles …
Four vertical heterostructures based on two-dimensional transition-metal dichalcogenides
(TMDs)–MoS 2/GeC, MoSe 2/GeC, WS 2/GeC, and WSe 2/GeC, were studied by density …
(TMDs)–MoS 2/GeC, MoSe 2/GeC, WS 2/GeC, and WSe 2/GeC, were studied by density …
First-Principles Study of Na Intercalation and Diffusion Mechanisms at 2D MoS2/Graphene Interfaces
Na-ion batteries (NIBs) are emerging as promising energy storage devices for large-scale
applications. Great research efforts are devoted to design new effective NIB electrode …
applications. Great research efforts are devoted to design new effective NIB electrode …
First principles study of the electronic properties and Schottky barrier in vertically stacked graphene on the Janus MoSeS under electric field
In this paper, we design novel ultra-thin graphene/MoSeS and graphene/MoSSe
heterostructures and investigate systematically their structural and electronic properties as …
heterostructures and investigate systematically their structural and electronic properties as …