Adriana Bocchini

adriana.bocchini@uni-paderborn.de
ID
58349

12 Publications

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[12]
2025 | Journal Article | LibreCat-ID: 60565
Microscopic origin of gray tracks in KTiOPO4
A. Bocchini, U. Gerstmann, W.G. Schmidt, Physical Review B 111 (2025).
LibreCat | DOI
 
[11]
2025 | Journal Article | LibreCat-ID: 60566 | OA
Mg dopants in lithium niobate (LiNbO3, LN): Defect models and impact on domain inversion
A. Bocchini, M. Rüsing, L. Bollmers, S. Lengeling, P. Mues, L. Padberg, U. Gerstmann, C. Silberhorn, C. Eigner, W.G. Schmidt, Physical Review Materials 9 (2025).
LibreCat | Files available | DOI | Download (ext.)
 
[10]
2025 | Journal Article | LibreCat-ID: 60568 | OA
Phosphonic acid adsorption on α-Bi2O3 surfaces
A. Bocchini, S. Kollmann, U. Gerstmann, W.G. Schmidt, G. Grundmeier, Surface Science 760 (2025).
LibreCat | DOI | Download (ext.)
 
[9]
2023 | Journal Article | LibreCat-ID: 54854
Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles
A. Bocchini, Y. Xie, W.G. Schmidt, U. Gerstmann, Crystals 14 (2023).
LibreCat | DOI
 
[8]
2023 | Journal Article | LibreCat-ID: 45764 | OA
Rutile, anatase, brookite and titania thin film from Hubbard corrected and hybrid DFT
S. Badalov, A. Bocchini, R. Wilhelm, A.L. Kozub, U. Gerstmann, W.G. Schmidt, Materials Research Express (n.d.).
LibreCat | Files available | DOI | Download (ext.)
 
[7]
2022 | Journal Article | LibreCat-ID: 33484 | OA
DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking
L. Padberg, V. Quiring, A. Bocchini, M. Santandrea, U. Gerstmann, W.G. Schmidt, C. Silberhorn, C. Eigner, Crystals 12 (2022) 1359.
LibreCat | DOI | Download (ext.)
 
[6]
2022 | Journal Article | LibreCat-ID: 33965 | OA
Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory
A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, W.G. Schmidt, Phys. Rev. Materials 6 (2022) 105401.
LibreCat | Files available | DOI | Download (ext.)
 
[5]
2022 | Journal Article | LibreCat-ID: 31254
Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT
A. Bocchini, U. Gerstmann, W.G. Schmidt, Phys. Rev. B 105 (2022) 205118.
LibreCat | DOI
 
[4]
2021 | Journal Article | LibreCat-ID: 22310
Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory
S. Neufeld, A. Bocchini, W.G. Schmidt, Physical Review Materials (2021).
LibreCat | DOI
 
[3]
2020 | Journal Article | LibreCat-ID: 20682
Understanding gray track formation in KTP: Ti^3+ centers studied from first principles
A. Bocchini, C. Eigner, C. Silberhorn, W.G. Schmidt, U. Gerstmann, Phys. Rev. Materials 4 (2020) 124402.
LibreCat | DOI
 
[2]
2019 | Journal Article | LibreCat-ID: 13365 | OA
Potassium titanyl phosphate (KTP) quasiparticle energies and optical response
S. Neufeld, A. Bocchini, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Journal of Physics: Materials 2 (2019) 045003.
LibreCat | Files available | DOI | WoS
 
[1]
2019 | Journal Article | LibreCat-ID: 13429 | OA
Oxygen and potassium vacancies in KTP calculated from first principles
A. Bocchini, S. Neufeld, U. Gerstmann, W.G. Schmidt, Journal of Physics: Condensed Matter 31 (2019) 385401.
LibreCat | DOI | Download (ext.)
 
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12 Publications

Mark all

[12]
2025 | Journal Article | LibreCat-ID: 60565
Microscopic origin of gray tracks in KTiOPO4
A. Bocchini, U. Gerstmann, W.G. Schmidt, Physical Review B 111 (2025).
LibreCat | DOI
 
[11]
2025 | Journal Article | LibreCat-ID: 60566 | OA
Mg dopants in lithium niobate (LiNbO3, LN): Defect models and impact on domain inversion
A. Bocchini, M. Rüsing, L. Bollmers, S. Lengeling, P. Mues, L. Padberg, U. Gerstmann, C. Silberhorn, C. Eigner, W.G. Schmidt, Physical Review Materials 9 (2025).
LibreCat | Files available | DOI | Download (ext.)
 
[10]
2025 | Journal Article | LibreCat-ID: 60568 | OA
Phosphonic acid adsorption on α-Bi2O3 surfaces
A. Bocchini, S. Kollmann, U. Gerstmann, W.G. Schmidt, G. Grundmeier, Surface Science 760 (2025).
LibreCat | DOI | Download (ext.)
 
[9]
2023 | Journal Article | LibreCat-ID: 54854
Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles
A. Bocchini, Y. Xie, W.G. Schmidt, U. Gerstmann, Crystals 14 (2023).
LibreCat | DOI
 
[8]
2023 | Journal Article | LibreCat-ID: 45764 | OA
Rutile, anatase, brookite and titania thin film from Hubbard corrected and hybrid DFT
S. Badalov, A. Bocchini, R. Wilhelm, A.L. Kozub, U. Gerstmann, W.G. Schmidt, Materials Research Express (n.d.).
LibreCat | Files available | DOI | Download (ext.)
 
[7]
2022 | Journal Article | LibreCat-ID: 33484 | OA
DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking
L. Padberg, V. Quiring, A. Bocchini, M. Santandrea, U. Gerstmann, W.G. Schmidt, C. Silberhorn, C. Eigner, Crystals 12 (2022) 1359.
LibreCat | DOI | Download (ext.)
 
[6]
2022 | Journal Article | LibreCat-ID: 33965 | OA
Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory
A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, W.G. Schmidt, Phys. Rev. Materials 6 (2022) 105401.
LibreCat | Files available | DOI | Download (ext.)
 
[5]
2022 | Journal Article | LibreCat-ID: 31254
Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT
A. Bocchini, U. Gerstmann, W.G. Schmidt, Phys. Rev. B 105 (2022) 205118.
LibreCat | DOI
 
[4]
2021 | Journal Article | LibreCat-ID: 22310
Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory
S. Neufeld, A. Bocchini, W.G. Schmidt, Physical Review Materials (2021).
LibreCat | DOI
 
[3]
2020 | Journal Article | LibreCat-ID: 20682
Understanding gray track formation in KTP: Ti^3+ centers studied from first principles
A. Bocchini, C. Eigner, C. Silberhorn, W.G. Schmidt, U. Gerstmann, Phys. Rev. Materials 4 (2020) 124402.
LibreCat | DOI
 
[2]
2019 | Journal Article | LibreCat-ID: 13365 | OA
Potassium titanyl phosphate (KTP) quasiparticle energies and optical response
S. Neufeld, A. Bocchini, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Journal of Physics: Materials 2 (2019) 045003.
LibreCat | Files available | DOI | WoS
 
[1]
2019 | Journal Article | LibreCat-ID: 13429 | OA
Oxygen and potassium vacancies in KTP calculated from first principles
A. Bocchini, S. Neufeld, U. Gerstmann, W.G. Schmidt, Journal of Physics: Condensed Matter 31 (2019) 385401.
LibreCat | DOI | Download (ext.)
 
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