| 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
in Cooperation with on an Cooperation-Score of 37%
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
Places of action
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article
Li-Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment
Abstract
Silicon has been recently used as negative electrode in Li-ion batteries which makes the Li-Si system the focus of numerous studies. In this work, the Li-Si system was studied by means of drop calorimetry, differential scanning calorimetry, first principles calculations and the CALPHAD method. The enthalpies of mixing of the liquid phase were determined for the first time. The optimization started by the liquid phase and was performed using the experimental data. The following steps of the optimization of the thermodynamic properties and assessment of the phase diagram were conducted using the CALPHAD method. According to very recent studies in the literature and with our calculations, Li17Si4, Li21Si5 and Li4.13Si phases were considered as the Li-rich phases instead of Li22Si5. The LiSi phase was also considered for the first time in the assessment. The Li13Si4, Li7Si3 and Li12Si7 phases were also taken into account. Additionally, the crystal structure of the Li-Si phases was established by optimization of the electronic structure of each phase and phonon calculations were performed to attain the thermodynamic data at T > 0 K. The first principles thermodynamic data was compared with experimental and CALPHAD results.