Wenzhou TE: a first-principles calculated thermoelectric materials database
Fuente:
arXiv
Saved in:
| Main Authors: | Fang, Ying, Shao, Hezhu |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Theory of excitonic polarons: From models to first-principles calculations
by: Dai, Zhenbang, et al.
Published: (2024)
by: Dai, Zhenbang, et al.
Published: (2024)
Thermal transport and thermoelectric properties of transition metal dichalcogenides Mo$X_2$ from first-principles calculation
by: Wisesa, Radityo, et al.
Published: (2024)
by: Wisesa, Radityo, et al.
Published: (2024)
First-principles and tight-binding analysis of thermoelectricity in irradiated WSe$_2$
by: Osuala, Cynthia Ihuoma, et al.
Published: (2026)
by: Osuala, Cynthia Ihuoma, et al.
Published: (2026)
Reference compositions for bismuth telluride thermoelectric materials for low-temperature power generation
by: Kumari, Nirma, et al.
Published: (2025)
by: Kumari, Nirma, et al.
Published: (2025)
Revisiting the configurations of hydrogen impurities in SrTiO3: Insights from first-principles local vibration mode calculations
by: Zenghua, Cai, et al.
Published: (2025)
by: Zenghua, Cai, et al.
Published: (2025)
Half-Heusler TiXSn (X=Pd, Pt and Ni): electronic, vibrational, and defect properties from first-principles calculations
by: Lopes, Mateus Corradini, et al.
Published: (2023)
by: Lopes, Mateus Corradini, et al.
Published: (2023)
Design principles of nonlinear optical materials for Terahertz lasers
by: Han, Juan, et al.
Published: (2024)
by: Han, Juan, et al.
Published: (2024)
Insights into Polymer Electrolyte Stability and Reaction Pathways: A first-principle calculations study
by: Zhour, Kazem, et al.
Published: (2024)
by: Zhour, Kazem, et al.
Published: (2024)
Polarons from first principles
by: Dai, Zhenbang, et al.
Published: (2025)
by: Dai, Zhenbang, et al.
Published: (2025)
Native point defects in HgCdTe infrared detector material: Identifying deep centers from first principles
by: Chen, Wei, et al.
Published: (2023)
by: Chen, Wei, et al.
Published: (2023)
Electronic structure of CeCo$_{1-x}$Fe$_x$Ge$_3$ studied by X-ray photoelectron spectroscopy and first-principles calculations
by: Skokowski, P., et al.
Published: (2025)
by: Skokowski, P., et al.
Published: (2025)
First-principles screening of materials with extreme effective masses
by: Błazucki, Szymon, et al.
Published: (2025)
by: Błazucki, Szymon, et al.
Published: (2025)
How reproducible are first-principles simulations of liquid water?
by: ONeill, Niamh, et al.
Published: (2026)
by: ONeill, Niamh, et al.
Published: (2026)
First-principles calculation of higher-order elastic constants from divided differences
by: Attanayake, Ruvini, et al.
Published: (2025)
by: Attanayake, Ruvini, et al.
Published: (2025)
The CP-PAW code package for first-principles calculations from a user's perspective
by: Blöchl, Peter E., et al.
Published: (2026)
by: Blöchl, Peter E., et al.
Published: (2026)
Enhancing thermoelectric performance of 2D Janus ISbTe by strain engineering: A first principle study
by: Kumari, Anuja, et al.
Published: (2024)
by: Kumari, Anuja, et al.
Published: (2024)
Phase transitions in KNbO3: symmetry analysis and first principles calculations
by: Evarestov, R. A., et al.
Published: (2024)
by: Evarestov, R. A., et al.
Published: (2024)
Guidelines for accurate and efficient calculations of mobilities in two-dimensional materials
by: Zhou, Jiaqi, et al.
Published: (2024)
by: Zhou, Jiaqi, et al.
Published: (2024)
Spatio-temporal spin transport from first principles
by: Fadel, Mayada, et al.
Published: (2025)
by: Fadel, Mayada, et al.
Published: (2025)
Comparative analysis of structural, elastic, electronic, phonon, thermal and optical properties of two $\text{Na}_6\text{Ge}_2\text{Se}_6$ phases from first principles calculations
by: Zhang, Qi, et al.
Published: (2024)
by: Zhang, Qi, et al.
Published: (2024)
Structural, electronic, vibrational, optical, piezoelectric, thermal and thermoelectric properties of BCZT from first-principles calculations
by: Pradhan, Debidutta, et al.
Published: (2025)
by: Pradhan, Debidutta, et al.
Published: (2025)
Excitonic polarons and self-trapped excitons from first-principles exciton-phonon couplings
by: Dai, Zhenbang, et al.
Published: (2024)
by: Dai, Zhenbang, et al.
Published: (2024)
First-principles calculations of structural and bonding properties of Li-doped tetrahedrite thermoelectrics
by: Kapera, Krzysztof, et al.
Published: (2024)
by: Kapera, Krzysztof, et al.
Published: (2024)
Thermoelectrical potential and derivation of Kelvin relation for thermoelectric materials
by: Chen, Sikun, et al.
Published: (2024)
by: Chen, Sikun, et al.
Published: (2024)
Efficient first-principles modeling of complex molecular crystals at sub-chemical accuracy
by: Shi, Benjamin X., et al.
Published: (2026)
by: Shi, Benjamin X., et al.
Published: (2026)
First-principles calculation of scattering potentials of Si-Ge and Sn-Ge dimers on Ge(001) surfaces
by: Ono, Tomoya
Published: (2012)
by: Ono, Tomoya
Published: (2012)
Uniform electron benchmark for the first-principles $GW_{0}$-Eliashberg theory
by: Akashi, Ryosuke, et al.
Published: (2025)
by: Akashi, Ryosuke, et al.
Published: (2025)
Comparison between first-principles supercell calculations of polarons and the ab initio polaron equations
by: Dai, Zhenbang, et al.
Published: (2025)
by: Dai, Zhenbang, et al.
Published: (2025)
Orbital Hall effect in transition metals from first-principles scattering calculations
by: Rang, Max, et al.
Published: (2024)
by: Rang, Max, et al.
Published: (2024)
Excitation signatures of isochorically heated electrons in solids at finite wavenumber explored from first principles
by: Moldabekov, Zhandos A., et al.
Published: (2024)
by: Moldabekov, Zhandos A., et al.
Published: (2024)
Efficient method for calculating magnon-phonon coupling from first principles
by: Fang, Wuzhang, et al.
Published: (2025)
by: Fang, Wuzhang, et al.
Published: (2025)
Revisiting first-principles thermodynamics by quasiharmonic approach: Application to study thermal expansion of additively-manufactured Inconel 625
by: Shang, Shun-Li, et al.
Published: (2024)
by: Shang, Shun-Li, et al.
Published: (2024)
Magnetic-field dependence of spin-phonon relaxation and dephasing due to g-factor fluctuations from first principles
by: Quinton, Joshua, et al.
Published: (2024)
by: Quinton, Joshua, et al.
Published: (2024)
Electric field enhances the electronic and diffusion properties of penta-graphene nanoribbons for application in lithium-ion batteries: a first-principles study
by: Tran, Thi Nhan, et al.
Published: (2024)
by: Tran, Thi Nhan, et al.
Published: (2024)
Electronic transport and Fermi surface of Weyl semimetal WTe2: quantum oscillations and first-principles study
by: Fominykh, B. M., et al.
Published: (2025)
by: Fominykh, B. M., et al.
Published: (2025)
Two-dimensional \b{eta}-phase copper iodide: a promising candidate for low-temperature thermoelectric applications
by: Peng, Bingquan, et al.
Published: (2024)
by: Peng, Bingquan, et al.
Published: (2024)
Anomalous thermal transport and high thermoelectric performance of Cu-based vanadate CuVO3
by: Jin, Xin, et al.
Published: (2024)
by: Jin, Xin, et al.
Published: (2024)
First principles phase diagram calculation and theoretical investigation of electronic structure properties of $\mathrm{KCuTe_{1-x}Se_{x}}$ for photocathode applications
by: Kar, Arini, et al.
Published: (2025)
by: Kar, Arini, et al.
Published: (2025)
Unconventional bright ground-state excitons in monolayer TiI$_2$ from first-principles calculations
by: Fischer, Franz, et al.
Published: (2025)
by: Fischer, Franz, et al.
Published: (2025)
Transfer learning from first-principles calculations to experiments with chemistry-informed domain transformation
by: Yahagi, Yuta, et al.
Published: (2025)
by: Yahagi, Yuta, et al.
Published: (2025)
Similar Items
-
Theory of excitonic polarons: From models to first-principles calculations
by: Dai, Zhenbang, et al.
Published: (2024) -
Thermal transport and thermoelectric properties of transition metal dichalcogenides Mo$X_2$ from first-principles calculation
by: Wisesa, Radityo, et al.
Published: (2024) -
First-principles and tight-binding analysis of thermoelectricity in irradiated WSe$_2$
by: Osuala, Cynthia Ihuoma, et al.
Published: (2026) -
Reference compositions for bismuth telluride thermoelectric materials for low-temperature power generation
by: Kumari, Nirma, et al.
Published: (2025) -
Revisiting the configurations of hydrogen impurities in SrTiO3: Insights from first-principles local vibration mode calculations
by: Zenghua, Cai, et al.
Published: (2025)