Cargando…

A first-principles prediction of novel Janus T′-RuXY (X/Y = S, Se, Te) monolayers: structural properties and electronic structures

Due to the breaking of the mirror symmetry, two-dimensional layered Janus materials possess many extraordinary mechanical and electronic properties that cannot exist in symmetric structures. In this paper, we propose and investigate the structural and electronic properties of Janus T′-RuXY (X/Y = S,...

Descripción completa

Detalles Bibliográficos
Autor principal:	Hien, Nguyen D.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9372875/ https://www.ncbi.nlm.nih.gov/pubmed/36105970 http://dx.doi.org/10.1039/d2ra04225h

Ejemplares similares

Novel two-dimensional Janus β-Ge(2)XY (X/Y = S, Se, Te) structures: first-principles examinations
por: Hien, Nguyen Dinh, et al.
Publicado: (2023)

First-Principles Study of Structural and Electronic Properties of Monolayer PtX(2) and Janus PtXY (X, Y = S, Se, and Te) via Strain Engineering
por: Ge, Xun, et al.
Publicado: (2023)

Janus structures of the C(2h) polymorph of gallium monochalcogenides: first-principles examination of Ga(2)XY (X/Y = S, Se, Te) monolayers
por: Tran, Tuan-Anh, et al.
Publicado: (2023)

First-principles insights onto structural, electronic and optical properties of Janus monolayers CrXO (X = S, Se, Te)
por: Linh, Tran P. T., et al.
Publicado: (2021)

Anisotropic Rashba splitting in Pt-based Janus monolayers PtXY (X,Y = S, Se, or Te)
por: Sino, Paul Albert L., et al.
Publicado: (2021)

Theoretical prediction of Janus PdXO (X = S, Se, Te) monolayers: structural, electronic, and transport properties
por: Vu, Tuan V., et al.
Publicado: (2022)

Novel Janus GaInX(3) (X = S, Se, Te) single-layers: first-principles prediction on structural, electronic, and transport properties
por: Vu, Tuan V., et al.
Publicado: (2022)

The Thermal Stability of Janus Monolayers SnXY (X, Y = O, S, Se): Ab-Initio Molecular Dynamics and Beyond
por: Luo, Yufeng, et al.
Publicado: (2021)

First-principles examination of two-dimensional Janus quintuple-layer atomic structures XCrSiN(2) (X = S, Se, and Te)
por: Tran, P. T. Linh, et al.
Publicado: (2023)

Computational insights into structural, electronic, and optical properties of Janus GeSO monolayer
por: Do, Thi-Nga, et al.
Publicado: (2021)

High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (X = Se and Te)
por: Patel, Abhishek, et al.
Publicado: (2020)

Electronic, mechanical, optical and photocatalytic properties of two-dimensional Janus XGaInY (X, Y ;= S, Se and Te) monolayers
por: Ahmad, Iqtidar, et al.
Publicado: (2021)

First-Principle Investigations on the Electronic and Transport Properties of PbBi(2)Te(2)X(2) (X = S/Se/Te) Monolayers
por: Ma, Weiliang, et al.
Publicado: (2021)

Electronic Structure of Monolayer FeSe on Si(001) from First Principles
por: Carva, Karel, et al.
Publicado: (2022)

New C(2h) phase of group III monochalcogenide monolayers AlX (X = S, Se, and Te) with anisotropic crystal structure: first-principles study
por: Tran, Tuan-Anh, et al.
Publicado: (2023)

Theoretical prediction of structural, mechanical, and electronic properties of Janus GeSnX(2) (X = S, Se, Te) single-layers
por: Pham, Khang D.
Publicado: (2021)

Spin-Orbit Coupling and Spin-Polarized Electronic Structures of Janus Vanadium-Dichalcogenide Monolayers: First-Principles Calculations
por: Lv, Ming-Hao, et al.
Publicado: (2022)

First Principle Study on the Effect of Strain on the Electronic Structure and Carrier Mobility of the Janus MoSTe and WSTe Monolayers
por: El Hamdaoui, Jawad, et al.
Publicado: (2023)

Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation
por: Li, Yan, et al.
Publicado: (2023)

First-principles investigation on the electronic structures of CdSe(x)S(1−x) and simulation of CdTe solar cell with a CdSe(x)S(1−x) window layer by SCAPS
por: He, Xu, et al.
Publicado: (2022)

Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer
por: Singh, Deobrat, et al.
Publicado: (2020)

High Thermoelectric Performance of a Novel γ-PbSnX(2) (X = S, Se, Te) Monolayer: Predicted Using First Principles
por: Ding, Changhao, et al.
Publicado: (2023)

Identification of Exciton Complexes in Charge-Tunable Janus W(Se)(S) Monolayers
por: Feuer, Matthew S. G., et al.
Publicado: (2023)

Crystal lattice and electronic and transport properties of Janus ZrSiSZ(2) (Z = N, P, As) monolayers by first-principles investigations
por: Anh, Nguyen P. Q., et al.
Publicado: (2023)

Intriguing interfacial characteristics of the CS contact with MX(2) (M = Mo, W; X = S, Se, Te) and MXY ((X ≠ Y) = S, Se, Te) monolayers
por: Khan, H., et al.
Publicado: (2022)

Ab initio prediction of semiconductivity in a novel two-dimensional Sb(2)X(3) (X= S, Se, Te) monolayers with orthorhombic structure
por: Bafekry, A., et al.
Publicado: (2021)

Electronic Janus lattice and kagome-like bands in coloring-triangular MoTe(2) monolayers
por: Lei, Le, et al.
Publicado: (2023)

Ferro-piezoelectricity in emerging Janus monolayer BMX(2) (M = Ga, In and X = S, Se): ab initio investigations
por: Bezzerga, Djamel, et al.
Publicado: (2023)

Structure, Stability, and Kinetics of Vacancy Defects in Monolayer PtSe(2): A First-Principles Study
por: Gao, Junfeng, et al.
Publicado: (2017)

First-Principle Insight into the Ru-Doped PtSe(2) Monolayer for Detection of H(2) and C(2)H(2) in Transformer Oil
por: Li, Dajian, et al.
Publicado: (2020)

Stacking effects in van der Waals heterostructures of blueP and Janus XYO (X = Ti, Zr, Hf: Y = S, Se) monolayers
por: Alam, Qaisar, et al.
Publicado: (2021)

Electronic structure of strain-tunable Janus WSSe–ZnO heterostructures from first-principles
por: Peterson, E. A., et al.
Publicado: (2022)

Theoretical analysis of the thermoelectric properties of penta-PdX2 (X = Se, Te) monolayer
por: Li, Lei, et al.
Publicado: (2022)

Electronic, magnetic and optical properties of MnPX(3) (X = S, Se) monolayers with and without chalcogen defects: a first-principles study
por: Yang, Juntao, et al.
Publicado: (2020)

Structural and electronic properties of CdTe(1-x)Se(x) films and their application in solar cells
por: Lingg, Martina, et al.
Publicado: (2018)

Structural, electronic and optical properties of pristine and functionalized MgO monolayers: a first principles study
por: Hoat, D. M., et al.
Publicado: (2020)

First-principles study of nonmetal doped monolayer MoSe(2) for tunable electronic and photocatalytic properties
por: Zhao, Yafei, et al.
Publicado: (2017)

Tuning electronic and optical properties of monolayer PdSe(2) by introducing defects: first-principles calculations
por: Zhao, X. W., et al.
Publicado: (2020)

First principles study on structural, electronic and optical properties of HfS(2(1−x))Se(2x) and ZrS(2(1−x))Se(2x) ternary alloys
por: Razeghizadeh, Mohammadreza, et al.
Publicado: (2022)

Phonon transport in Janus monolayer siblings: a comparison of 1T and 2H-ISbTe
por: Chu, Viet-Ha, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_db61bknu35dr9kvolk12ja2mec