Zobrazeno 1 - 10
of 35
pro vyhledávání: '"Ph. Baranek"'
Publikováno v:
SN Applied Sciences
SN Applied Sciences, Springer Verlag, 2020, 2 (11), pp.1882. ⟨10.1007/s42452-020-03673-3⟩
SN Applied Sciences, Springer Verlag, 2020, 2 (11), pp.1882. ⟨10.1007/s42452-020-03673-3⟩
International audience; We report experimental and calculated Raman scattering investigations of KNb 1-x Ta x O 3 (x = 0.4, 0.5, 0.6) solid solutions as a function of hydrostatic pressure. The observed phase transitions sequence in the range from roo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f4c935c2f6ddbced70c8afdfca48ad72
https://doi.org/10.1007/s42452-020-03673-3
https://doi.org/10.1007/s42452-020-03673-3
Autor:
Ph. Baranek, Ph. Masschelein, P. Dalicieux, Christophe Candolfi, Anne Dauscher, V. Ohorodniichuk, Bertrand Lenoir
Publikováno v:
Journal of Electronic Materials
Journal of Electronic Materials, Institute of Electrical and Electronics Engineers, 2016, 45 (3), pp.1561-1569. ⟨10.1007/s11664-015-4114-9⟩
Journal of Electronic Materials, Institute of Electrical and Electronics Engineers, 2016, 45 (3), pp.1561-1569. ⟨10.1007/s11664-015-4114-9⟩
In this work, we present our attempt to improve the thermoelectric performance of melt-spun (MS) Sb2−x Bi x Te3+y samples densified by spark plasma sintering (SPS) through two different methods: (1) alignment of the MS ribbons in the SPS die; (2) r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57dae5562842c96e828befb8dc53dc5a
https://hal.archives-ouvertes.fr/hal-01299664
https://hal.archives-ouvertes.fr/hal-01299664
Autor:
Ph. Baranek, Roberto Dovesi
Publikováno v:
Ferroelectrics. 268:155-162
The ferroelectric perovskite KNbO 3 is investigated at the ab initio quantum mechanical level, by using the CRYSTAL program and a gaussian type basis set. A set of well localized Wannier functions (LWF) is obtained by applying a unitary transformatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9937f8022f8e1d509dcfeef47a35e731
https://doi.org/10.1080/00150190211078
https://doi.org/10.1080/00150190211078
Publikováno v:
Physical Review B. 62:12812-12819
periodic program, the Hartree-Fock Hamiltonian, the supercellscheme, and a localized basis set. The defects, formally obtained by substituting a hydrogen atom for a cation,exhibit a large relaxation of H from the perfect lattice position towards one
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::af1b25919b5e8364fa8753deb15daa16
https://doi.org/10.1103/physrevb.62.12812
https://doi.org/10.1103/physrevb.62.12812
Publikováno v:
AIP Conference Proceedings.
Pressure driven phase transitions of ferroelectric KNbO3 are investigated at the hybrid functional level using a periodic single cell simulation. The hybrid functional combines Hartree‐Fock and PBE approximations. The calculated equations of state
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::41af680ebbd64974acd6be183eac5a92
https://doi.org/10.1063/1.2836090
https://doi.org/10.1063/1.2836090
Publikováno v:
AIP Conference Proceedings.
Sulphur‐containing molecules are responsible for the poisoning of catalysts used in many chemical processes such as fuel processing for hydrogen production and for fuel cells. An option which would constitute a breakthrough in this field would be t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e604ec0a294c767a0db0fe7b93a0b46d
https://doi.org/10.1063/1.2836087
https://doi.org/10.1063/1.2836087
Publikováno v:
AIP Conference Proceedings.
The knowledge of the bulk electrolyte properties is essential if high performance fuel cells are to be designed. A large number of ceramic materials with high protonic conductivity have been identified among of them the perovskite crystals such as Ba
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6b85346e72e1dddeeca0819b714374f1
https://doi.org/10.1063/1.2836093
https://doi.org/10.1063/1.2836093
Publikováno v:
Physical Review B. 64
The crystalline orbitals of KNbO3 are localized according to an iterative mixed Wannier-Boys scheme. The transformed orbitals turn out to be extremely localized; their features and degree of localization are described in terms of various indices. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::44cd12cad7722d68a93eb6ab32773226
https://doi.org/10.1103/physrevb.64.125102
https://doi.org/10.1103/physrevb.64.125102
The layered minerals brucite Mg(OH)2 and portlandite Ca(OH)2 are investigated at the ab initio quantum mechanical level, by using the periodic C rystal 98 program and an all-electron Gaussian-type basis set. The equilibrium lattice parameters, lattic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e8860c98ad424e382e4914b41214e1af
http://hdl.handle.net/2318/22015
http://hdl.handle.net/2318/22015
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