Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: performances of different exchange-correlation functionals von Labat, Frédéric, Baranek, Philippe, Domain, Christophe, Minot, Christian, Adamo, Carlo

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Three‐terminal perovskite/integrated back contact silicon tandem solar cells under low light intensity conditions von Kanda, Hiroyuki, Dan Mihailetchi, Valentin, Gueunier‐Farret, Marie‐Estelle, Kleider, Jean‐Paul, Djebbour, Zakaria, Alvarez, Jose, Philippe, Baranek, Isabella, Olindo, Vogt, Malte R., Santbergen, Rudi, Schulz, Philip, Peter, Fiala, Nazeeruddin, Mohammad K., Connolly, James P.

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Atomic scale mechanisms for the amorphisation of irradiated graphite von Chartier, Alain, Van Brutzel, Laurent, Pannier, Baptiste, Baranek, Philippe

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Complexation of Nickel Ions by Boric Acid or (Poly)borates von Graff, Anais, Barrez, Etienne, Baranek, Philippe, Bachet, Martin, Bénézeth, Pascale

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Adsorption of atomic hydrogen on defect sites of graphite: Influence of surface reconstruction and irradiation damage von Lechner, Christoph, Baranek, Philippe, Vach, Holger

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The effect of composition on phonon softening in ABO-type perovskites: DFT modelling von Sophia, Gustavo, Baranek, Philippe, Rérat, Michel, Dovesi, Roberto

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The effect of composition on phonon softening in ABO 3 -type perovskites: DFT modelling von Sophia, Gustavo, Baranek, Philippe, Rérat, Michel, Dovesi, Roberto

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The effect of composition on phonon softening in ABO3-type perovskites: DFT modelling von Gustavo Sophia, Baranek, Philippe, Rérat, Michel, Dovesi, Roberto

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Effects of Copper Substitution by Alkali Metals on the Properties of Chalcopyrites for Tandem Applications: Insights from Theory von Lafond, Fabien, Baranek, Philippe, Postnikov, Andrei

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Structural and Electronic Properties of Selected Rutile and Anatase TiO2 Surfaces:  An ab Initio Investigation von Labat, Frédéric, Baranek, Philippe, Adamo, Carlo

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A comment on “The interaction of [formula omitted] (X = F, Cl, and Br) with active sites of graphite” [Xu et al., Chem. Phys. Lett., 418, 413 (2006)] von Lechner, Christoph, Baranek, Philippe, Vach, Holger

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A comment on “The interaction of X 2 (X = F, Cl, and Br) with active sites of graphite” [Xu et al., Chem. Phys. Lett., 418, 413 (2006)] von Lechner, Christoph, Baranek, Philippe, Vach, Holger

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First-principles investigation of CO2, CO, and O2 adsorptions on the (001)-reconstructed surfaces of CsPbX3 (X = Cl, Br, and I) perovskites von Mishra, Arpit, Baranek, Philippe, Postnikov, Andrei

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Structural and transport properties of quenched and melt-spun BixSb2−xTe3 solid solutions (x = 0.40 and 0.48) von Ohorodniichuk, Viktoriia, El-Oualid, Soufiane, Dauscher, Anne, Candolfi, Christophe, Masschelein, Philippe, Migot, Sylvie, Dalicieux, Pascal, Baranek, Philippe, Lenoir, Bertrand

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First-Principles Study of the Structural, Electronic, Dynamic, and Mechanical Properties of HOPG and Diamond: Influence of Exchange–Correlation Functionals and Dispersion Interacti... von Lechner, Christoph, Pannier, Baptiste, Baranek, Philippe, Forero-Martinez, Nancy C, Vach, Holger

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Ab Initio Studies of Electronic Structure, Phonon Modes, and Elastic Properties of Mg2Si von Baranek, Philippe, Schamps, Joël, Noiret, Isabelle

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Structural and transport properties of quenched and melt-spun Bi x Sb2−x Te3 solid solutions (x = 0.40 and 0.48) von Ohorodniichuk, Viktoriia, El-Oualid, Soufiane, Dauscher, Anne, Candolfi, Christophe, Masschelein, Philippe, Migot, Sylvie, Dalicieux, Pascal, Baranek, Philippe, Lenoir, Bertrand

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Effect of Chlorine Inclusion in Wide Band Gap FAPbBr 3 Perovskites von Ory, Daniel, Ammirati, Giuseppe, Paci, Barbara, Baranek, Philippe, Generosi, Amanda, Fournier, Olivier, Turchini, Stefano, Toschi, Francesco, Guillemoles, Jean‐François, Barichello, Jessica, Matteocci, Fabio, Carlo, Aldo Di, Milotti, Valeria, Sheverdyaeva, Polina M., Moras, Paolo, Catone, Daniele, Cacovich, Stefania

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Effect of Chlorine Inclusion in Wide Band Gap FAPbBr3 Perovskites von Ory, Daniel, Ammirati, Giuseppe, Paci, Barbara, Baranek, Philippe, Generosi, Amanda, Fournier, Olivier, Turchini, Stefano, Toschi, Francesco, Guillemoles, Jean‐François, Barichello, Jessica, Matteocci, Fabio, Carlo, Aldo Di, Milotti, Valeria, Sheverdyaeva, Polina M., Moras, Paolo, Catone, Daniele, Cacovich, Stefania

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Humidity‐Induced Degradation Processes of Halide Perovskites Unveiled by Correlative Analytical Electron Microscopy von Mejaouri, Salim, Cacovich, Stefania, Baranek, Philippe, Bérenguier, Baptiste, Zimmermann, Iwan, Yaiche, Armelle, Loisnard, Dominique, Rousset, Jean, Collin, Stéphane

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