Theoretical analysis of the thermoelectric properties of penta-PdX2 (X = Se, Te) monolayer

Theoretical analysis of the thermoelectric properties of penta-PdX2 (X = Se, Te) monolayer

Based on the successful fabrication of PdSe2 monolayers, the electronic and thermoelectric properties of pentagonal PdX2 (X = Se, Te) monolayers were investigated via first-principles calculations and the Boltzmann transport theory. The results showed that the PdX2 monolayer exhibits an indirect ban...

Mô tả đầy đủ

Chi tiết về thư mục
Những tác giả chính:	Lei Li, Zhuqin Huang, Jinqi Xu, Haihua Huang
Định dạng:	Bài viết
Ngôn ngữ:	English
Được phát hành:	Frontiers Media S.A. 2022-11-01
Loạt:	Frontiers in Chemistry
Những chủ đề:	two-dimensional material thermoelectric material transport property first-principles calculation electronic structure
Truy cập trực tuyến:	https://www.frontiersin.org/articles/10.3389/fchem.2022.1061703/full

Những quyển sách tương tự

High Thermoelectric Performance of a Novel <i>γ</i>-PbSnX<sub>2</sub> (X = S, Se, Te) Monolayer: Predicted Using First Principles
Bằng: Changhao Ding, et al.
Được phát hành: (2023-04-01)

Prediction for electronic, vibrational and thermoelectric properties of chalcopyrite AgX(X=In,Ga)Te2: PBE + U approach
Bằng: Jianhui Yang, et al.
Được phát hành: (2017-01-01)

Data-driven analysis of electron relaxation times in PbTe-type thermoelectric materials
Bằng: Yukari Katsura, et al.
Được phát hành: (2019-12-01)

Data-driven analysis of electron relaxation times in PbTe-type thermoelectric materials
Bằng: Yukari Katsura, et al.
Được phát hành: (2019-05-01)

First-Principles Study on Lattice Dynamics and Thermal Conductivity of Thermoelectric Intermetallics Fe<sub>3</sub>Al<sub>2</sub>Si<sub>3</sub>
Bằng: Naoki Sato, et al.
Được phát hành: (2021-04-01)

Theoretical Study on Thermoelectric Properties and Doping Regulation of Mg<sub>3</sub>X<sub>2</sub> (X = As, Sb, Bi)
Bằng: Xiaofang Wang, et al.
Được phát hành: (2021-06-01)

Pressure-induced enhancement in the thermoelectric properties of monolayer and bilayer SnSe2
Bằng: Daifeng Zou, et al.
Được phát hành: (2018-01-01)

Lattice dynamics, elastic, magnetic, thermodynamic and thermoelectric properties of the two-dimensional semiconductors MPSe3 (M = Cd, Fe and NI): a first-principles study
Bằng: A A Musari, et al.
Được phát hành: (2022-01-01)

Coexistence of Large In-Plane and Out-of-Plane Piezoelectric Response in Group III–VI XMAY<sub>2</sub> (X = I; M = Ti, Zr; A = Al, Ga; Y = S, Se) Monolayers
Bằng: Zujun Li, et al.
Được phát hành: (2024-08-01)

Layer-dependent excellent thermoelectric materials: from monolayer to trilayer tellurium based on DFT calculation
Bằng: Kexin Zhang, et al.
Được phát hành: (2023-10-01)

Thermoelectric Properties of Arsenic Triphosphide (AsP3) Monolayer: A First-Principles Study
Bằng: Liangshuang Fan, et al.
Được phát hành: (2021-06-01)

Exploring Anharmonicity-induced high thermoelectric performance in α-In2X3 (X=S, Se) monolayers
Bằng: Victor José Ramirez Rivera, et al.
Được phát hành: (2025-01-01)

Understanding intrinsic phonon thermal transport in two-dimensional γ-GeX (X = S, Se, Te) from first principles
Bằng: Qiang Fan, et al.
Được phát hành: (2023-06-01)

The Verification of Thermoelectric Performance Obtained by High-Throughput Calculations: The Case of GeS2 Monolayer From First-Principles Calculations
Bằng: Xiaolian Wang, et al.
Được phát hành: (2021-07-01)

Penta-Graphene as a Potential Gas Sensor for NO x Detection
Bằng: Meng-Qi Cheng, et al.
Được phát hành: (2019-09-01)

Material Optimization for a High Power Thermoelectric Generator in Wearable Applications
Bằng: Gyusoup Lee, et al.
Được phát hành: (2017-09-01)

Excellent Hole Mobility and Out–of–Plane Piezoelectricity in X–Penta–Graphene (X = Si or Ge) with Poisson’s Ratio Inversion
Bằng: Sitong Liu, et al.
Được phát hành: (2024-08-01)

Strain Effect on Thermoelectric Performance of InSe Monolayer
Bằng: Qian Wang, et al.
Được phát hành: (2019-08-01)

Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer
Bằng: Yonglan Hu, et al.
Được phát hành: (2021-09-01)

The prediction of X2B6 monolayers with ultrahigh carrier mobility
Bằng: Xiuzhi Du, et al.
Được phát hành: (2025-01-01)

Strain induced crystal lattice softening and improved thermoelectric performance of hydrogenated silicene for energy harvesting applications
Bằng: Aadil Fayaz Wani, et al.
Được phát hành: (2024-11-01)

Vacancy modulation dramatically enhances the thermoelectric performance of InTe single crystal
Bằng: Jianghe Feng, et al.
Được phát hành: (2025-03-01)

Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides
Bằng: Wenny V. Sinambela, et al.
Được phát hành: (2021-10-01)

Band engineering and rational design of high-performance thermoelectric materials by first-principles
Bằng: Lili Xi, et al.
Được phát hành: (2016-06-01)

Lattice vibration modes of the layered material BiCuSeO and first principles study of its thermoelectric properties
Bằng: Jingxuan Ding, et al.
Được phát hành: (2015-01-01)

Monolayer MX2 (M = Cr, Mn; X = Se, Te) with a square lattice: A ferromagnetic half-metal with high Curie temperature
Bằng: Zhicui Wang, et al.
Được phát hành: (2023-08-01)

Intrinsically High Thermoelectric Performance in AgInSe2 n‐Type Diamond‐Like Compounds
Bằng: Pengfei Qiu, et al.
Được phát hành: (2018-03-01)

First-Principles Investigation of Structural, Thermoelectric, and Optical Properties of Half-Heusler Compound ScRhTe under Varied Pressure
Bằng: Junhong Wei, et al.
Được phát hành: (2022-10-01)

High thermoelectric performance in GeTe with compositional insensitivity
Bằng: Dong, Jinfeng, et al.
Được phát hành: (2022)

Comparative investigation of the thermoelectric transport properties of Janus ZrS2Se and ZrS3 bilayers
Bằng: Cong Wang, et al.
Được phát hành: (2021-11-01)

Improvement of the thermoelectric properties of a MoO3 monolayer through oxygen vacancies
Bằng: Wenwen Zheng, et al.
Được phát hành: (2019-10-01)

First-principles calculations of thermoelectric transport properties in WSe2/SnS2 bilayer heterostructure
Bằng: Cong Wang, et al.
Được phát hành: (2023-08-01)

Strain-engineering quantum anomalous hall state in janus MnBi2SexTe4−x monolayers
Bằng: Jiale Chen, et al.
Được phát hành: (2025-02-01)

Two-dimensional C6X (X = P2, N2, NP) with ultra-wide bandgap and high carrier mobility
Bằng: Xiaowei Chen, et al.
Được phát hành: (2023-01-01)

First-Principle Investigations on the Electronic and Transport Properties of PbBi<sub>2</sub>Te<sub>2</sub>X<sub>2</sub> (X = S/Se/Te) Monolayers
Bằng: Weiliang Ma, et al.
Được phát hành: (2021-11-01)

Performance characteristic of thermoelectric module /
Bằng: Nazri Md. Daud, 1978-, et al.
Được phát hành: (2007)

Geometric and Electronic Properties of Monolayer HfX2 (X = S, Se, or Te): A First-Principles Calculation
Bằng: Thi My Duyen Huynh, et al.
Được phát hành: (2021-03-01)

Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation
Bằng: Yan Li, et al.
Được phát hành: (2023-07-01)

Performance characteristic of thermoelectric module [electronic resource] /
Bằng: Nazri Md. Daud, 1978-, et al.
Được phát hành: (2007)

Phase composition and thermoelectric properties of the nanocomposite alloys Na<sub>x</sub>Cu<sub>2-x-y</sub> S
Bằng: M. M. Kubenova, et al.
Được phát hành: (2021-11-01)