Teori för oordnade material

Graf teori för oordnade material.

Publikationer

2024

Akun Liang, Israel Osmond, Georg Krach, Lan-Ting Shi, Lukas Bruening, Umbertoluca Ranieri, James Spender, Ferenc Tasnadi, Bernhard Massani, Callum R. Stevens, Ryan Stewart McWilliams, Eleanor Lawrence Bright, Nico Giordano, Samuel Gallego-Parra, Yuqing Yin, Andrey Aslandukov, Fariia Iasmin Akbar, Eugene Gregoryanz, Andrew Huxley, Miriam Pena-Alvarez, Jian-Guo Si, Wolfgang Schnick, Maxim Bykov, Florian Trybel, Dominique Laniel (2024) High-Pressure Synthesis of Ultra-Incompressible, Hard and Superconducting Tungsten Nitrides Advanced Functional Materials Vidare till DOI
Chayanon Atthapak, Annop Ektarawong, Teerachote Pakornchote, Björn Alling, Thiti Bovornratanaraks (2024) Thermodynamic Stability Prediction of Triple Transition-Metal (Ti-Mo-V)3C2 MXenes via Cluster Correlation-Based Machine Learning Advanced Theory and Simulations Vidare till DOI
Siriwimol Somdee, Meena Rittiruam, Tinnakorn Saelee, Patcharaporn Khajondetchairit, Annop Ektarawong, Soorathep Kheawhom, Björn Alling, Piyasan Praserthdam, Supareak Praserthdam (2024) First-Principles Investigations on Effects of B-Site Substitution (B-Mn, Fe, and Co) on La-Based Perovskite Oxides As Bifunctional Electrocatalysts for Rechargeable Metal-Air Batteries Advanced Theory and Simulations Vidare till DOI
Shuyao Lin, Luis Casillas-Trujillo, Ferenc Tasnadi, Lars Hultman, Paul H. Mayrhofer, Davide Sangiovanni, Nikola Koutna (2024) Machine-learning potentials for nanoscale simulations of tensile deformation and fracture in ceramics npj Computational Materials, Vol. 10, Artikel 67 Vidare till DOI
Meena Rittiruam, Pisit Khamloet, Annop Ektarawong, Chayanon Atthapak, Tinnakorn Saelee, Patcharaporn Khajondetchairit, Björn Alling, Supareak Praserthdam, Piyasan Praserthdam (2024) Screening of Cu-Mn-Ni-Zn high-entropy alloy catalysts for CO2 reduction reaction by machine-learning-accelerated density functional theory Applied Surface Science, Vol. 652, Artikel 159297 Vidare till DOI
Janella Salamania, Florian Bock, L. J. S. Johnson, Ferenc Tasnadi, K. M. Calamba Kwick, Alireza Farhadizadeh, Igor Abrikosov, Lina Rogström, Magnus Odén (2024) High temperature decomposition and age hardening of single-phase wurtzite Ti1−xAlxN thin films grown by cathodic arc deposition Physical Review Materials, Vol. 8, Artikel 013602 Vidare till DOI
Florian Bock, Ferenc Tasnadi, Igor Abrikosov (2024) Active learning with moment tensor potentials to predict material properties: Ti0.5Al0.5N at elevated temperature Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films, Vol. 42, Artikel 013412 Vidare till DOI
Meena Rittiruam, Nuttanon Aumnongpho, Tinnakorn Saelee, Patcharaporn Khajondetchairit, Soorathep Kheawhom, Björn Alling, Supareak Praserthdam, Annop Ektarawong, Piyasan Praserthdam (2024) The role of metal-doping on the enhanced electrocatalytic properties of a-MnO2 during oxygen reduction reaction Journal of Energy Storage, Vol. 78, Artikel 110005 Vidare till DOI
Dominique Laniel, Florian Trybel, Andrey Aslandukov, Saiana Khandarkhaeva, Timofey Fedotenko, Yuqing Yin, Nobuyoshi Miyajima, Ferenc Tasnadi, Alena V. Ponomareva, Nityasagar Jena, Fariia Iasmin Akbar, Bjoern Winkler, Adrien Néri, Stella Chariton, Vitali Prakapenka, Victor Milman, Wolfgang Schnick, Alexander N. Rudenko, Mikhail I. Katsnelson, Igor A. Abrikosov, Leonid Dubrovinsky, Natalia Doubrovinckaia (2024) Synthesis of Ultra‐Incompressible and Recoverable Carbon Nitrides Featuring CN4 Tetrahedra Advanced Materials, Vol. 36, Artikel 2308030 Vidare till DOI

2023

Dat Tran, Ferenc Tasnadi, Agne Zukauskaite, Jens Birch, Vanya Darakchieva, Plamen Paskov (2023) Thermal conductivity of ScxAl1-xN and YxAl1-xN alloys Applied Physics Letters, Vol. 122, Artikel 182107 Vidare till DOI

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