Teori för oordnade material

Graf teori för oordnade material.

Publikationer

2025

Umbertoluca Ranieri, Akun Liang, Charles Lamb, James Spender, Sarah Bolton, Andrey Aslandukov, Bernhard Massani, Ferenc Tasnadi, Pierre-Olivier Autran, James A. D. Ball, Angelika D. Rosa, Bihan Wang, Florian Trybel, Dominique Laniel (2025) High-Pressure Synthesis of Two Pb3(C3N6) Polymorphs Featuring Fully Deprotonated [C3N6]6- Melaminate Anions Journal of the American Chemical Society (Artikel i tidskrift) Vidare till DOI
Yuqing Yin, Leonid Dubrovinsky, Ferenc Tasnadi, Igor Abrikosov, Andrey Aslandukov, Alena Aslandukova, Fariia Iasmin Akbar, Wenju Zhou, Florian Knoop, Dominique Laniel, Anna Pakhomova, Timofey Fedotenko, Konstantin Glazyrin, Gaston Garbarino, Haixing Fang, Natalia Doubrovinckaia (2025) High-Pressure Mg3Cl7 Synthesized in a Diamond Anvil Cell as a Polar Metal with Second-Harmonic Generation Journal of the American Chemical Society, Vol. 147 (Artikel i tidskrift) Vidare till DOI
Marian Arale Brännvall (2025) Theoretical Modeling of Spin Dynamics, Magnetic Phase Transitions, and Spin-Lattice Coupling
Marian Arale Brännvall, Rickard Armiento, Björn Alling (2025) Predicting the Curie temperature in substitutionally disordered alloys using a first-principles based model Journal of Magnetism and Magnetic Materials, Vol. 630, Artikel 173361 (Artikel i tidskrift) Vidare till DOI
Tinnakorn Saelee, Sorawee Setasuban, Jakapob Noppakhun, Meena Rittiruam, Patcharaporn Khajondetchairit, Annop Ektarawong, Björn Alling, Rathawat Daengngern, Piyasan Praserthdam, Supareak Praserthdam (2025) Theoretical investigation on the role of external oxygen facilitating oxidative dehydrogenation of hydrogen sulfide on Fe-based oxide catalysts Fuel, Vol. 400, Artikel 135641 (Artikel i tidskrift) Vidare till DOI
Davide Sangiovanni, Adrian Kjellén, Florian Trybel, L. J. S. Johnson, Magnus Odén, Ferenc Tasnadi, Igor Abrikosov (2025) Controlled polymorphic competition - A path to tough and hard ceramics Acta Materialia, Vol. 294, Artikel 121121 (Artikel i tidskrift) Vidare till DOI
Daniele Torsello, Giuseppe Celentano, Leonardo Civale, Valentina Corato, Michael Eisterer, Davide Gambino, Samuel Murphy, Susannah Speller, Francesco Laviano (2025) Roadmap for the investigation of irradiation effects in HTS for fusion Superconductors Science and Technology, Vol. 38, Artikel 053501 (Artikel, forskningsöversikt) Vidare till DOI
Meena Rittiruam, Tinnakorn Saelee, Patcharaporn Khajondetchairit, Annop Ektarawong, Björn Alling, Rathawat Daengngern, Piyasan Praserthdam, Supareak Praserthdam (2025) First-Principles Screening of 3d-Transition-Metal-Doped Hydrous Cobalt Phosphate Catalysts for Enhanced Oxygen Evolution Reaction Advanced Theory and Simulations (Artikel i tidskrift) Vidare till DOI
Boburjon Mukhamedov, Ferenc Tasnadi, Igor Abrikosov (2025) Machine learning interatomic potential for the low-modulus Ti-Nb-Zr alloys in the vicinity of dynamical instability Materials & design, Vol. 253, Artikel 113865 (Artikel i tidskrift) Vidare till DOI
N. Jampaiboon, C. Atthapak, W. Sukmas, S. Khamkaeo, T. Bovornratanaraks, Björn Alling, A. Ektarawong (2025) Insight into phase stability and mechanical behavior of HfB2 and HfB12 under high pressures and high temperatures: A first-principles investigation Computational materials science, Vol. 249, Artikel 113662 (Artikel i tidskrift) Vidare till DOI

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