| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Braga, Mh
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Topics
Publications (18/18 displayed)
- 2021Direct growth of MoS2 on electrolytic substrate and realization of high-mobility transistorscitations
- 2021Structural Batteries: A Reviewcitations
- 2021An All-Solid-State Coaxial Structural Battery Using Sodium-Based Electrolytecitations
- 2020Performance of a ferroelectric glass electrolyte in a self-charging electrochemical cell with negative capacitance and resistancecitations
- 2020Experimental and ab initio study of the Ag-Li system for energy storage and high-temperature solderscitations
- 2018Formation enthalpy of Ga-Li intermetallic phases. Experiment vs. calculationscitations
- 2018Extraordinary Dielectric Properties at Heterojunctions of Amorphous Ferroelectricscitations
- 2017Electric Dipoles and Ionic Conductivity in a Na+ Glass Electrolytecitations
- 2017First principles, thermal stability and thermodynamic assessment of the binary Ni-W systemcitations
- 2017Alternative strategy for a safe rechargeable batterycitations
- 2015Theoretical investigation of defect structure in B2 TrSc (Tr=Cd, Ru) alloyscitations
- 2014Li-Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessmentcitations
- 2014Optimization and assessment of the Ag-Ca phase diagramcitations
- 2013Experimental and First Principles Study of the Ni-Ti-W Systemcitations
- 2012Study of the Cu-Li-Mg-H system by thermal analysiscitations
- 2010Neutron powder diffraction and first-principles computational studies of CuLixMg2-x (x congruent to 0.08), CuMg2, and Cu2Mgcitations
- 2007THE BEHAVIOUR OF THE LATTICE PARAMETERS IN THE Bi-Sn-Zn SYSTEMcitations
- 2000The Cu-Li-Mg system at room temperaturecitations
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article
Theoretical investigation of defect structure in B2 TrSc (Tr=Cd, Ru) alloys
Abstract
Point defect structure of B2 TrSc (Tr=Cd, Ru) alloys was investigated using supercell and special quasi-random structure (SQS) approaches. According to our results, Tr and Sc anti-sites are the constitutional point defects in Tr-rich and Sc-rich B2 TrSc, respectively. To investigate the thermal defect concentrations at finite temperatures, we adopted the Wagner Schottky model using point defect formation enthalpies obtained from supercell and SQS approaches. The present results suggest that the predominant thermal defects in B2 CdSc are of exchange type, and in B2 RuSc are of interbranch Sc type. The calculated results show an agreement with the available theoretical and experimental data.