Cargando…

Electron, phonon and thermoelectric properties of Cu(7)PS(6) crystal calculated at DFT level

The promising class of the environment-friendly thermoelectrics is the copper-based argyrodite-type ion-conducting crystals exhibiting just extraordinary low thermal conductivity below the glass limit associated with the molten copper sublattice leading to a softening of phonon modes. To explain why...

Descripción completa

Detalles Bibliográficos
Autores principales:	Andriyevsky, B., Barchiy, I. E., Studenyak, I. P., Kashuba, A. I., Piasecki, M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8463705/ https://www.ncbi.nlm.nih.gov/pubmed/34561499 http://dx.doi.org/10.1038/s41598-021-98515-6

Ejemplares similares

Thermoelectric Properties of Sb-S System Compounds from DFT Calculations
por: Yang, Hailong, et al.
Publicado: (2020)

Band Structure, Phonon Spectrum and Thermoelectric Properties of Ag(3)CuS(2)
por: Pshenay-Severin, Dmitry, et al.
Publicado: (2023)

Theory and simulation methods for electronic and phononic transport in thermoelectric materials
por: Neophytou, Neophytos
Publicado: (2020)

Phonon Transport and Thermoelectric Properties of Imidazole-Graphyne
por: Chen, Yanyan, et al.
Publicado: (2021)

Tuning phononic and electronic contributions of thermoelectric in defected S-shape graphene nanoribbons
por: Bazrafshan, M. Amir, et al.
Publicado: (2022)

Tailoring phononic, electronic, and thermoelectric properties of orthorhombic GeSe through hydrostatic pressure
por: Yuan, Kunpeng, et al.
Publicado: (2019)

Kondo-like phonon scattering in thermoelectric clathrates
por: Ikeda, M. S., et al.
Publicado: (2019)

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

Boosting the thermoelectric performance of p-type heavily Cu-doped polycrystalline SnSe via inducing intensive crystal imperfections and defect phonon scattering
por: Shi, Xiaolei, et al.
Publicado: (2018)

Decoupling electron and phonon transport in single-nanowire hybrid materials for high-performance thermoelectrics
por: Yang, Lin, et al.
Publicado: (2021)

Thermoelectric and phonon transport properties of two-dimensional IV–VI compounds
por: Shafique, Aamir, et al.
Publicado: (2017)

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

Synergetic enhancement of thermoelectric performances by localized carrier and phonon scattering in Cu(2)Se with incorporated fullerene nanoparticles
por: Jin, Yingshi, et al.
Publicado: (2021)

Tacticity in chiral phononic crystals
por: Bergamini, A., et al.
Publicado: (2019)

Tunable Graphene Phononic Crystal
por: Kirchhof, Jan N., et al.
Publicado: (2021)

Tuning phonon transport spectrum for better thermoelectric materials
por: Hori, Takuma, et al.
Publicado: (2018)

Quantum and Phonon Interference-Enhanced Molecular-Scale Thermoelectricity
por: Sadeghi, Hatef
Publicado: (2019)

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations
por: Castillo-Quevedo, César, et al.
Publicado: (2020)

Phonons in Copper Diphosphide (CuP(2)): Raman Spectroscopy and Lattice Dynamics Calculations
por: Dimitrievska, Mirjana, et al.
Publicado: (2023)

Comparison of crystal structure and DFT calculations of triferrocenyl trithiophosphite’s conformance
por: Shekurov, Ruslan P, et al.
Publicado: (2022)

First-Principles Calculations of Thermoelectric Transport Properties of Quaternary and Ternary Bulk Chalcogenide Crystals
por: Hasan, Sahib, et al.
Publicado: (2022)

Thermoelectric Properties of Highly-Crystallized Ge-Te-Se Glasses Doped with Cu/Bi
por: Srinivasan, Bhuvanesh, et al.
Publicado: (2017)

Thermoelectric properties plus phonon and de Haas–van Alphen frequencies of hole/electron-doped [Formula: see text]
por: Yazdani-Kachoei, M., et al.
Publicado: (2022)

Electronic Structure-, Phonon Spectrum-, and Effective Mass- Related Thermoelectric Properties of PdXSn (X = Zr, Hf) Half Heuslers
por: Rani, Bindu, et al.
Publicado: (2022)

Tuning electronic and phononic states with hidden order in disordered crystals
por: Roth, Nikolaj, et al.
Publicado: (2023)

A simple Cu(II) complex of phenolic oxime: synthesis, crystal structure, supramolecular interactions, DFT calculation and catecholase activity study
por: Dolai, Malay, et al.
Publicado: (2020)

Electron-phonon coupling for the system with strong electron correlations
por: Moskalenko, V A, et al.
Publicado: (1996)

Design of Graphene Phononic Crystals for Heat Phonon Engineering
por: Masrura, Haque Mayeesha, et al.
Publicado: (2020)

Electron spectroscopies of 3-hydroxyflavone and 7-hydroxyflavone in MCM-41 silica nanoparticles and in acetonitrile solutions. Experimental data and DFT/TD-DFT calculations
por: Landström, Anton, et al.
Publicado: (2020)

Emergent topological fields and relativistic phonons within the thermoelectricity in topological insulators
por: Faílde, Daniel, et al.
Publicado: (2021)

Two Cu(ii)-triadimenol complexes as potential fungicides: synergistic actions and DFT calculations
por: Li, Jie, et al.
Publicado: (2018)

Thermoelectric properties of n-type Cu(4)Sn(7)S(16)-based compounds
por: Deng, Tingting, et al.
Publicado: (2019)

Local Electronic Structure in AlN Studied by Single-Crystal (27)Al and (14)N NMR and DFT Calculations
por: Zeman, Otto E. O., et al.
Publicado: (2020)

Excellent Thermoelectric Properties in monolayer WSe(2) Nanoribbons due to Ultralow Phonon Thermal Conductivity
por: Wang, Jue, et al.
Publicado: (2017)

Enhanced thermoelectric properties in anthracene molecular device with graphene electrodes: the role of phononic thermal conductance
por: Ramezani Akbarabadi, Saeideh, et al.
Publicado: (2020)

Functionalized 4-Hydroxy Coumarins: Novel Synthesis, Crystal Structure and DFT Calculations
por: Stefanou, Valentina, et al.
Publicado: (2011)

Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene
por: Kamencek, Tomas, et al.
Publicado: (2020)

Electron–Phonon Coupling and Electron–Phonon Scattering in SrVO(3)
por: Mirjolet, Mathieu, et al.
Publicado: (2021)

Phononic crystals: fundamentals and applications
por: Khelif, Abdelkrim, et al.
Publicado: (2016)

Acoustic Metamaterials and Phononic Crystals
por: Deymier, Pierre
Publicado: (2013)

Cannot write session to /tmp/vufind_sessions/sess_d4kgsjq3st58c3rjibvcfdepn7