Ab-initio investigation of structural stability and exfoliation energies in transition metal dichalcogenides based on Ti-, V-, and Mo-group elements (2018)
- Authors:
- USP affiliated authors: SILVA, JUAREZ LOPES FERREIRA DA - IQSC ; SIPAHI, GUILHERME MATOS - IFSC
- Unidades: IQSC; IFSC
- Subjects: SEMICONDUTORES; DISPOSITIVOS ELETRÔNICOS
- Keywords: Density functional theory; Transition metal Dichalcogenides; Exfoliation energy
- Language: Inglês
- Imprenta:
- Publisher: Universidade de São Paulo - USP, Instituto de Física de São Carlos - IFSC
- Publisher place: São Carlos
- Date published: 2018
- Source:
- Título do periódico: Livro de Resumos
- Conference titles: Semana Integrada do Instituto de Física de São Carlos - SIFSC
-
ABNT
BASTOS, C. M. O. B. et al. Ab-initio investigation of structural stability and exfoliation energies in transition metal dichalcogenides based on Ti-, V-, and Mo-group elements. 2018, Anais.. São Carlos: Universidade de São Paulo - USP, Instituto de Física de São Carlos - IFSC, 2018. Disponível em: https://repositorio.usp.br/directbitstream/3584356c-36f2-4154-86f1-66ffc5dda5b5/P18122.pdf. Acesso em: 23 abr. 2024. -
APA
Bastos, C. M. O. B., Besse, R., Silva, J. L. F. da, & Sipahi, G. M. (2018). Ab-initio investigation of structural stability and exfoliation energies in transition metal dichalcogenides based on Ti-, V-, and Mo-group elements. In Livro de Resumos. São Carlos: Universidade de São Paulo - USP, Instituto de Física de São Carlos - IFSC. Recuperado de https://repositorio.usp.br/directbitstream/3584356c-36f2-4154-86f1-66ffc5dda5b5/P18122.pdf -
NLM
Bastos CMOB, Besse R, Silva JLF da, Sipahi GM. Ab-initio investigation of structural stability and exfoliation energies in transition metal dichalcogenides based on Ti-, V-, and Mo-group elements [Internet]. Livro de Resumos. 2018 ;[citado 2024 abr. 23 ] Available from: https://repositorio.usp.br/directbitstream/3584356c-36f2-4154-86f1-66ffc5dda5b5/P18122.pdf -
Vancouver
Bastos CMOB, Besse R, Silva JLF da, Sipahi GM. Ab-initio investigation of structural stability and exfoliation energies in transition metal dichalcogenides based on Ti-, V-, and Mo-group elements [Internet]. Livro de Resumos. 2018 ;[citado 2024 abr. 23 ] Available from: https://repositorio.usp.br/directbitstream/3584356c-36f2-4154-86f1-66ffc5dda5b5/P18122.pdf - Relative stability of octahedral and trigonal prismatic phases of MoSe2 flakes from density functional theory calculations
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- Size-induced phase evolution of MoSe2 nanoflakes revealed by density functional theory
- Ab initio investigation of structural stability and exfoliation energies in transition metal dichalcogenides based on Ti-, V-, and Mo-group elements
- A comprehensive study of g-factors, elastic, structural and electronic properties of III-V semiconductors using hybrid-density functional theory
- Formation and size evolution of transition metal dichalcogenides nanoflakes from Ab initio studies
- Realistic gap and spin-orbit splitting from hybrid-DFT: determining effective mass parameters comparable to experiments
- Theoretical study of transition metal dichalcogenides: stability energy, structural and electronic properties
- Comparative study between 8x 8 and 6x6 k.p Hamiltonian: the case of GaAs zinc blende
- k.p parameters with accuracy control from preexistent first principles band structure calculations
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