Cargando…

Optimisation of the thermoelectric efficiency of zirconium trisulphide monolayers through unixial and biaxial strain

The goal of this work is to investigate the influence of mechanical deformation on the electronic and thermoelectric properties of ZrS(3) monolayers. We employ density functional theory (DFT) calculations at the hybrid HSE06 level to evaluate the response of the electronic band gap and mobilities, a...

Descripción completa

Detalles Bibliográficos
Autores principales:	Saiz, Fernan, Carrete, Jesús, Rurali, Riccardo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	RSC 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9417286/ https://www.ncbi.nlm.nih.gov/pubmed/36132015 http://dx.doi.org/10.1039/d0na00518e

Ejemplares similares

Anisotropic Thermal Conductivity in Few-Layer and Bulk Titanium Trisulphide from First Principles
por: Saiz, Fernan, et al.
Publicado: (2020)

Biaxial Tensile Strain-Induced Enhancement of Thermoelectric Efficiency of α-Phase Se(2)Te and SeTe(2) Monolayers
por: Chen, Shao-Bo, et al.
Publicado: (2021)

Influence of growth temperature on titanium sulphide nanostructures: from trisulphide nanosheets and nanoribbons to disulphide nanodiscs
por: Talib, Mohammad, et al.
Publicado: (2019)

Highly Biaxially Strained Silicene on Au(111)
por: Nazzari, Daniele, et al.
Publicado: (2021)

A first-principles study of electronic and optical properties of the tetragonal phase of monolayer ZnS modulated by biaxial strain
por: Liu, Bin, et al.
Publicado: (2022)

Strain induced valley degeneracy: a route to the enhancement of thermoelectric properties of monolayer WS(2)
por: Bera, Jayanta, et al.
Publicado: (2019)

Strain hardening in biaxially stretched elastomers undergoing strain-induced crystallization
por: Hiraiwa, Soichiro, et al.
Publicado: (2023)

Tuning the thermoelectrical properties of anthracene-based self-assembled monolayers
por: Ismael, Ali, et al.
Publicado: (2020)

Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer
por: Hu, Yonglan, et al.
Publicado: (2021)

Phonon spectrum and thermoelectric properties of square/octagon structure of bismuth monolayer
por: Wu, C. Y., et al.
Publicado: (2021)

Strain Effect on Thermoelectric Performance of InSe Monolayer
por: Wang, Qian, et al.
Publicado: (2019)

Strain-Enhanced Thermoelectric Performance in GeS(2) Monolayer
por: Ruan, Xinying, et al.
Publicado: (2022)

Pressure-induced enhancement in the thermoelectric properties of monolayer and bilayer SnSe(2)
por: Zou, Daifeng, et al.
Publicado: (2018)

Biaxial strain modulated the electronic structure of hydrogenated 2D tetragonal silicene
por: Tu, Haoran, et al.
Publicado: (2019)

Improved Thermoelectric Performance of Monolayer HfS(2) by Strain Engineering
por: Wang, Hao, et al.
Publicado: (2021)

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

Layer-dependent excellent thermoelectric materials: from monolayer to trilayer tellurium based on DFT calculation
por: Zhang, Kexin, et al.
Publicado: (2023)

Radical enhancement of molecular thermoelectric efficiency
por: Sangtarash, Sara, et al.
Publicado: (2020)

Unravelling the physisorption characteristics of H(2)S molecule on biaxially strained single-layer MoS(2)
por: Tabatabaei, Seyed-Mohammad, et al.
Publicado: (2019)

Electronic structure and thermoelectric properties of Mo-based dichalcogenide monolayers locally and randomly modified by substitutional atoms
por: Vallinayagam, M., et al.
Publicado: (2020)

Ultralow lattice thermal conductivity and high thermoelectric performance of monolayer KCuTe: a first principles study
por: Gu, Jinjie, et al.
Publicado: (2019)

Chalcogen ‘like-like’ Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study
por: Bauzá, Antonio, et al.
Publicado: (2018)

An efficient modulated synthesis of zirconium metal–organic framework UiO-66
por: Chen, Xia, et al.
Publicado: (2022)

Electrical field and biaxial strain tunable electronic properties of the PtSe(2)/Hf(2)CO(2) heterostructure
por: Xia, Ruizhe, et al.
Publicado: (2023)

Structural, electronic and thermoelectric properties of GeC and MXO (M = Ti, Zr and X = S, Se) monolayers and their van der Waals heterostructures
por: Bashir, Khadeeja, et al.
Publicado: (2023)

Thermoelectric properties of X(3)N(2)O(2) (X = Hf, Zr) MXene monolayers: a first-principles study
por: Yan, Xinxin, et al.
Publicado: (2023)

Hydrocracking of crude palm oil to a biofuel using zirconium nitride and zirconium phosphide-modified bentonite
por: Hasanudin, Hasanudin, et al.
Publicado: (2022)

Stoichiometry deviation in amorphous zirconium dioxide
por: Rushton, Michael J. D., et al.
Publicado: (2019)

Reaction mechanism of atomic layer deposition of zirconium oxide using zirconium precursors bearing amino ligands and water
por: Xu, Rui, et al.
Publicado: (2022)

Strategies to Improve the Thermoelectric Figure of Merit in Thermoelectric Functional Materials
por: Sun, Yan, et al.
Publicado: (2022)

Thermoelectric transports in pristine and functionalized boron phosphide monolayers
por: Li, Min-Shan, et al.
Publicado: (2021)

Zirconium tetraazamacrocycle complexes display extraordinary stability and provide a new strategy for zirconium-89-based radiopharmaceutical development
por: Pandya, Darpan N., et al.
Publicado: (2017)

Corrigendum: Reaction mechanism of atomic layer deposition of zirconium oxide using zirconium precursors bearing amino ligands and water
por: Xu, Rui, et al.
Publicado: (2022)

Strain-tunable electronic and optical properties of BC(3) monolayer
por: Zhang, Yang, et al.
Publicado: (2018)

Strain relaxation in monolayer MoS(2) over flexible substrate
por: Basu, Nilanjan, et al.
Publicado: (2023)

The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations
por: Bafekry, Asadollah, et al.
Publicado: (2020)

Theoretical Investigation of Biaxially Tensile-Strained Germanium Nanowires
por: Zhu, Zhongyunshen, et al.
Publicado: (2017)

Manufacturing of stretchable substrate with biaxial strain control for highly-efficient stretchable solar cells and displays
por: Kwak, Ji-Youn, et al.
Publicado: (2023)

Comprehensive Review on Thermoelectric Electrodeposits: Enhancing Thermoelectric Performance Through Nanoengineering
por: Wu, Tingjun, et al.
Publicado: (2021)

Farming thermoelectric paper
por: Abol-Fotouh, Deyaa, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_rcquslt761nplpdhb2bs5fu8je