Cargando…

Ab Initio Calculations for the Electronic, Interfacial and Optical Properties of Two-Dimensional AlN/Zr(2)CO(2) Heterostructure

Recently, expanding the applications of two-dimensional (2D) materials by constructing van der Waals (vdW) heterostructures has become very popular. In this work, the structural, electronic and optical absorption performances of the heterostructure based on AlN and Zr(2)CO(2) monolayers are studied...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ren, Kai, Zheng, Ruxin, Lou, Junbin, Yu, Jin, Sun, Qingyun, Li, Jianping
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8632821/ https://www.ncbi.nlm.nih.gov/pubmed/34869240 http://dx.doi.org/10.3389/fchem.2021.796695

Ejemplares similares

Phonons in Short-Period GaN/AlN Superlattices: Group-Theoretical Analysis, Ab initio Calculations, and Raman Spectra
por: Davydov, Valery, et al.
Publicado: (2021)

Interfacial Coupling Effect on Electron Transport in MoS(2)/SrTiO(3) Heterostructure: An Ab-initio Study
por: Bano, Amreen, et al.
Publicado: (2018)

Modeling of the Point Defect Migration across the AlN/GaN Interfaces—Ab Initio Study
por: Hrytsak, Roman, et al.
Publicado: (2022)

Interlayer and Intralayer Excitons in AlN/WS(2) Heterostructure
por: Attaccalite, Claudio, et al.
Publicado: (2022)

Ab initio study for molecular-scale adsorption, decomposition and desorption on AlN surfaces during MOCVD growth
por: An, Jiadai, et al.
Publicado: (2020)

Electronic properties of several two dimensional halides from ab initio calculations
por: Barhoumi, Mohamed, et al.
Publicado: (2019)

Ab initio calculations of light ion reactions
por: Navrátil, P, et al.
Publicado: (2012)

Accurate Ab Initio Calculation of Molecular Constants
por: Kotochigova, S., et al.
Publicado: (1998)

Adsorption and Dissociation of Ni(acac)(2) on Iron by Ab Initio Calculations
por: Corsini, Chiara, et al.
Publicado: (2020)

Predissociation resonances and accurate ab initio calculations of dication HF(2+)
por: Liu, Dong, et al.
Publicado: (2021)

Tailoring spintronic and opto-electronic characteristics of bilayer AlN through MnO(x) clusters intercalation; an ab initio study
por: Ahmed, Irfan, et al.
Publicado: (2021)

Ab initio calculation of the neutron-proton mass difference
por: Lellouch, Laurent
Publicado: (2015)

Calculating curly arrows from ab initio wavefunctions
por: Liu, Yu, et al.
Publicado: (2018)

Electron Trap Depths in Cubic Lutetium Oxide Doped with Pr and Ti, Zr or Hf—From Ab Initio Multiconfigurational Calculations
por: Shyichuk, Andrii, et al.
Publicado: (2023)

Effects of Residual Stress Distribution on Interfacial Adhesion of Magnetron Sputtered AlN and AlN/Al Nanostructured Coatings on a (100) Silicon Substrate
por: Ali, Rashid, et al.
Publicado: (2018)

Structural Stability, Electronic, Mechanical, Phonon, and Thermodynamic Properties of the M(2)GaC (M = Zr, Hf) MAX Phase: An ab Initio Calculation
por: Qureshi, Muhammad Waqas, et al.
Publicado: (2020)

(4)He Thermophysical Properties: New Ab Initio Calculations
por: Hurly, John J., et al.
Publicado: (2007)

Polydopamine and eumelanin molecular structures investigated with ab initio calculations
por: Chen, Chun-Teh, et al.
Publicado: (2017)

On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum
por: Gabas, Fabio, et al.
Publicado: (2017)

Ab initio calculation of energy levels for phosphorus donors in silicon
por: Smith, J. S., et al.
Publicado: (2017)

Vibronic structure of photosynthetic pigments probed by polarized two-dimensional electronic spectroscopy and ab initio calculations
por: Song, Yin, et al.
Publicado: (2019)

Influence of Surface Passivation on AlN Barrier Stress and Scattering Mechanism in Ultra-thin AlN/GaN Heterostructure Field-Effect Transistors
por: Lv, Y. J., et al.
Publicado: (2016)

Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe–CS(2)
por: Qin, Miao, et al.
Publicado: (2019)

Sensing Behavior of Two Dimensional Al- and P-Doped WS(2) Toward NO, NO(2), and SO(2): an Ab Initio Study
por: Cao, Jiamu, et al.
Publicado: (2020)

Exploring Hydrogen Incorporation into the Nb(4)AlC(3) MAX Phases: Ab Initio Calculations
por: Fu, Yudong, et al.
Publicado: (2022)

Tunable two-dimensional interfacial coupling in molecular heterostructures
por: Xu, Beibei, et al.
Publicado: (2017)

Nature of charge transport and p-electron ferromagnetism in nitrogen-doped ZrO(2): An ab initio perspective
por: Zhu, Huanfeng, et al.
Publicado: (2015)

Electronic Structure of Silicon Nanowires Matrix from Ab Initio Calculations
por: Monastyrskii, Liubomyr S., et al.
Publicado: (2016)

Ab Initio Calculations on the Structural and Electronic Properties of AgAu Alloys
por: Cao Long, Van, et al.
Publicado: (2020)

Ab initio calculation of real solids via neural network ansatz
por: Li, Xiang, et al.
Publicado: (2022)

Ab initio calculations on structure and stability of BN/CC isosterism in azulene
por: Abdel-Rahman, Mohamed A., et al.
Publicado: (2023)

Band offsets of non-polar A-plane GaN/AlN and AlN/GaN heterostructures measured by X-ray photoemission spectroscopy
por: Sang, Ling, et al.
Publicado: (2014)

Correction: Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe–CS(2)
por: Qin, Miao, et al.
Publicado: (2019)

Exploring the Interfacial Reaction of Nano Al/CuO Energetic Films through Thermal Analysis and Ab Initio Molecular Dynamics Simulation
por: Shi, Anran, et al.
Publicado: (2022)

Near-UV electroluminescence in unipolar-doped, bipolar-tunneling GaN/AlN heterostructures
por: Growden, Tyler A, et al.
Publicado: (2018)

Tunable Electronic Properties of Graphene/g-AlN Heterostructure: The Effect of Vacancy and Strain Engineering
por: Liu, Xuefei, et al.
Publicado: (2019)

Strain Effects on the Two-Dimensional Cr(2)N MXene: An Ab Initio Study
por: Gutiérrez-Ojeda, Sandra Julieta, et al.
Publicado: (2022)

A Comparative Study of Electron Radiation Responses of Pu(2)Zr(2)O(7) and La(2)Zr(2)O(7): An ab initio Molecular Dynamics Study
por: Zhang, Shounuo, et al.
Publicado: (2021)

Ab-initio investigation of preferential triangular self-formation of oxide heterostructures of monolayer [Formula: see text]
por: Das, Soumya Ranjan, et al.
Publicado: (2020)

CECAM Workshop on Linear-Scalung Ab Initio Calculations : Applications and Future Directions
por: Bowler, D R, et al.
Publicado: (2008)

Cannot write session to /tmp/vufind_sessions/sess_bl74lt7stbe8kk197jp0vu9uul