Teori för oordnade material

Graf teori för oordnade material.



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


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
Davide Gambino, Johan Klarbring, Björn Alling (2023) Phase stability of Fe from first principles: Atomistic spin dynamics coupled with ab initio molecular dynamics simulations and thermodynamic integration Physical Review B, Vol. 107, Artikel 014102 Vidare till DOI
Tinnakorn Saelee, Suphawich Boonchuay, Attachai Sriwattana, Meena Rittiruam, Patcharaporn Khajondetchairit, Supareak Praserthdam, Annop Ektarawong, Björn Alling, Piyasan Praserthdam (2023) On the enhanced performance of Pt-based high-entropy alloys catalyst during water-gas shift reaction: A density functional theory study Applied Surface Science, Vol. 623, Artikel 157023 Vidare till DOI
Chanthip Wangphon, Tinnakorn Saelee, Meena Rittiruam, Patcharaporn Khajondetchairit, Supareak Praserthdam, Annop Ektarawong, Björn Alling, Piyasan Praserthdam (2023) How Can the PtPd-Based High-Entropy Alloy Triumphs Conventional Twc Catalyst During the NO Reduction? A Density Functional Theory Study Advanced Theory and Simulations Vidare till DOI
Janella Salamania, Katherine Calamba Kwick, Davide Giuseppe Sangiovanni, Ferenc Tasnadi, Igor A. Abrikosov, Lina Rogström, Lars Johnson, Magnus Odén (2023) High-resolution STEM investigation of the role of dislocations during decomposition of Ti1-xAlxNy Scripta Materialia, Vol. 229, Artikel 115366 Vidare till DOI
Meena Rittiruam, Sorawee Setasuban, Jakapob Noppakhun, Tinnakorn Saelee, Annop Ektarawong, Nuttanon Aumnongpho, Suphawich Boonchuay, Patcharaporn Khajondetchairit, Supareak Praserthdam, Björn Alling, Piyasan Praserthdam (2023) First-Principles Density Functional Theory and Machine Learning Technique for the Prediction of Water Adsorption Site on PtPd-Based High-Entropy-Alloy Catalysts Advanced Theory and Simulations, Vol. 6, Artikel 2200926 Vidare till DOI