Vacancy formation in moo 3: Hybrid density functional theory and photoemission experiments SO Akande, A Chroneos, M Vasilopoulou, S Kennou, ...
Journal of Materials Chemistry C 4 (40), 9526-9531, 2016
29 2016 Anisotropic O vacancy formation and diffusion in LaMnO 3 LY Gan, SO Akande, U Schwingenschlögl
Journal of Materials Chemistry A 2 (46), 19733-19737, 2014
22 2014 Searching for the rate determining step of the H2S reaction on Fe (110) surface SO Akande, ET Bentria, O Bouhali, F El-Mellouhi
Applied Surface Science 532, 147470, 2020
20 2020 Elucidating the role of extended surface defects at Fe surfaces on CO adsorption and dissociation A Chakrabarty, ET Bentria, SA Omotayo, O Bouhali, N Mousseau, ...
Applied Surface Science 491, 792-798, 2019
14 2019 Capturing the iron carburization mechanisms from the surface to bulk ET Bentria, SO Akande, CS Becquart, N Mousseau, O Bouhali, ...
The Journal of Physical Chemistry C 124 (52), 28569-28579, 2020
10 2020 Intrinsic defect processes and O migration in PrBa (Co/Fe) 2 O 5.5 SO Akande, S Boulfrad, U Schwingenschlögl
Journal of materials chemistry A 4 (9), 3560-3564, 2016
10 2016 Insights on the effect of water content in carburizing gas mixtures on the metal dusting corrosion of iron ET Bentria, SO Akande, A Ramesh, N Laycock, W Hamer, M Normand, ...
Applied Surface Science 579, 152138, 2022
7 2022 Defect formation and migration in and : A first-principles study SO Akande, D Çakır
Physical Review Materials 7 (5), 053610, 2023
5 2023 O vacancy formation in (Pr/Gd) BaCo 2 O 5.5 and the role of antisite defects SO Akande, A Chroneos, U Schwingenschlögl
Physical Chemistry Chemical Physics 19 (18), 11455-11459, 2017
3 2017 First-principles studies of defect behaviour in bismuth germanate SO Akande, O Bouhali
Scientific Reports 12 (1), 15728, 2022
2 2022 Controlling surface chemistry of CO reactions on Fe surface by S blocking: A first-principles and microkinetic studies SO Akande, ET Bentria, A Ramesh, N Laycock, O Bouhali, F El-Mellouhi
Applied Surface Science 571, 151216, 2022
2 2022 Formation of CaCO3 from calcium sources with different anions in single process of CO2 capture-mineralization DH Moon, A Murnandari, O Salawu, CW Lee, W Lee, YE Kim, KT Park, ...
Korean Journal of Chemical Engineering 37, 1709-1716, 2020
2 2020 First-principles investigation of mechanical and thermal properties of ( ), , and SO Akande, B Samanta, C Sevik, D Çakır
Physical Review Applied 20 (4), 044064, 2023
1 2023 Electronic structure and O vacancy formation/migration in La0. 825 (Mg/Ca/Ba) 0.125 CoO3 SO Akande, LY Gan, U Schwingenschlögl
Europhysics Letters 114 (2), 26001, 2016
1 2016 First-principles study on the oxidation of MoAlB and Cr2 AlB2 D Cakir, B Samanta, SO Akande
Bulletin of the American Physical Society, 2024
2024 Elucidating the Oxidation Mechanisms in Cr2 AlB2 Using Density Functional Theory and Thermodynamic Modeling SO Akande, B Samanta, U Adhikarige, D Cakir
JOURNAL OF PHYSICAL CHEMISTRY C, 2024
2024 First Principles Studies of Perovskites for Intermediate Temperature Solid Oxide Fuel Cell Cathodes OA Salawu
2017 Role of Strain Ans Sr-Doping for the Anisotropic Oxygen Diffusion in LaMnO3 O Salawu, L Gan, U Schwingenschlogl
Electrochemical Society Meeting Abstracts sofc2015, 65-65, 2015
2015 Role of Hole Doping on the Oxygen Vacancy Formation and Migration in LaCoO3 O Salawu, L Gan, U Schwingenschlogl
Electrochemical Society Meeting Abstracts sofc2015, 66-66, 2015
2015 Anisotropic O vacancy formation and diffusion in LaMnO₃ LY Gan, SO Akande, U Schwingenschlögl
2014