Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Adriana Bocchini"'
Publikováno v:
Crystals, Vol 14, Iss 1, p 5 (2023)
Batteries based on heavier alkali ions are considered promising candidates to substitute for current Li-based technologies. In this theoretical study, we characterize the structural properties of a novel material, i.e., F-doped RbTiOPO4 (RbTiPO4F, RT
Externí odkaz:
https://doaj.org/article/822a644c3467464ba9ba43fd9439f1a2
Autor:
Laura Padberg, Viktor Quiring, Adriana Bocchini, Matteo Santandrea, Uwe Gerstmann, Wolf Gero Schmidt, Christine Silberhorn, Christof Eigner
Publikováno v:
Crystals, Vol 12, Iss 10, p 1359 (2022)
We study the DC conductivity in potassium titanyl phosphate (KTiOPO4, KTP) and its isomorphs KTiOAsO4 (KTA) and Rb1%K99%TiOPO4 (RKTP) and introduce a method by which to reduce the overall ionic conductivity in KTP by a potassium nitrate treatment. Fu
Externí odkaz:
https://doaj.org/article/6823b46dcfb440a5be2a8dcc8fb03913
Publikováno v:
Physical Review Materials. 5
While potassium titanyl phosphate (KTP) is widely used for various optics applications, essentially nothing is known about its surfaces and electronic properties. Here the ground-state atomic structures of KTP [001] and [010] surfaces, frequently ter
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::57eef149e87043dd1318dbf0271b51c0
https://doi.org/10.1103/physrevmaterials.5.064407
https://doi.org/10.1103/physrevmaterials.5.064407
Publikováno v:
Physical Review Materials. 4
The magnetic signatures of ${\mathrm{Ti}}^{3+}$ centers in potassium titanyl phosphate (KTP) are studied within density-functional theory (DFT). The hyperfine tensor elements are very sensitive to the structural surrounding; the paramagnetic hyperfin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b7bb831eec06376404d2b90ada7eb363
https://doi.org/10.1103/physrevmaterials.4.124402
https://doi.org/10.1103/physrevmaterials.4.124402
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 31(38)
The atomic geometry and energetics of oxygen and potassium vacancies in potassium titanyl phosphate (KTP) as well as their electronic and optical properties are studied within density-functional theory in dependence of their charge state. Oxygen vaca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e3e783c77084206a5a57f0f9e0ca67ca
https://pubmed.ncbi.nlm.nih.gov/31189148
https://pubmed.ncbi.nlm.nih.gov/31189148
Publikováno v:
Journal of Physics: Materials. 2:045003
The KTiOPO4 (KTP) band structure and dielectric function are calculated on various levels of theory starting from density-functional calculations. Within the independent-particle approximation an electronic transport gap of 2.97 eV is obtained that w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6e68dfb34bd4d61d9d1080368a8c3952
https://doi.org/10.1088/2515-7639/ab29ba
https://doi.org/10.1088/2515-7639/ab29ba