Unveiling oxygen vacancy impact on lizardite thermo and mechanical properties von Pecinatto, H., Rêgo, Celso R. C., Wenzel, W., Frota, C. A., Perrone, B. M. S., Piotrowski, Maurício J., Guedes-Sobrinho, Diego, Dias, Alexandre C., Mota, Cicero, Gusmão, M. S. S., Frota, H. O.

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Stability and Optoelectronic Properties of Two-Dimensional Gallium Phosphide von da Silva Barboza, Elisangela, Cruz, Kessia L. M., Ferreira, Ramon S., Dias, Alexandre C., Lima, Erika N., da Costa, Diego R., Pereira, Teldo A. S.

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Investigating Molecular Adsorption on Graphene-Supported Platinum Subnanoclusters: Insights from DFT + D3 Calculations von Felix, João Paulo Cerqueira, da Silva, Gabriel Reynald, Nagurniak, Glaucio R., C Dias, Alexandre, P Orenha, Renato, Rêgo, Celso R. C., Parreira, Renato L. T., Guedes-Sobrinho, Diego, Piotrowski, Maurício J.

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Structural, optoelectronic, excitonic, vibrational, and thermodynamic properties of 1T’-OsO2 monolayer via ab initio calculations von Santos, W. O., Moucherek, F. M. O., Dias, Alexandre C., Moreira, E., Azevedo, D. L.

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Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures von B. P. Querne, Mateus, C. Dias, Alexandre, Janotti, Anderson, Da Silva, Juarez L. F., Lima, Matheus P.

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Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX 3 and 2D (BA) 2 (MA)B 2 X 7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites von Danelon, João G, Santos, Ramiro M, Dias, Alexandre C, Da Silva, Juarez L F, Lima, Matheus P

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Promising TMDC-like optical and excitonic properties of the TiBr 2 2H monolayer von Batista, André L de O, Palheta, João Marcos T, Piotrowski, Maurício J, Rêgo, Celso R C, Guedes-Sobrinho, Diego, Dias, Alexandre C

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Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX3 and 2D (BA)2(MA)B2X7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites von Danelon, João G, Santos, Ramiro M, Dias, Alexandre C, Juarez L F Da Silva, Lima, Matheus P

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Promising TMDC-like optical and excitonic properties of the TiBr2 2H monolayer von André L de O Batista, João Marcos T Palheta, Piotrowski, Maurício J, Rêgo, Celso R C, Guedes-Sobrinho, Diego, Dias, Alexandre C

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Poisoning by Brunfelsia uniflora in sheep and donkeys von Mello, Gustavo W., Riet-Correa, Franklin, Batista, Maria C., Carvalho, Ciro J., Dias, Alexandre C., Franklin, Fabio L., Silva, Silvana M., Dias, Alex

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On the excitonic effects of the 1T and 1OT phases of PdS2, PdSe2, and PdSSe monolayers von Moujaes, Elie A., Dias, Alexandre C.

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On the excitonic effects of the 1T and 1O T phases of PdS2, PdSe2, and PdSSe monolayers von Moujaes, Elie A., Dias, Alexandre C.

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WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids von Dias, Alexandre C., Silveira, Julian F.R.V., Qu, Fanyao

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Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX and 2D (BA)(MA)BX (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites von Danelon, João G, Santos, Ramiro M, Dias, Alexandre C, Da Silva, Juarez L. F, Lima, Matheus P

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Thermodynamic modeling and electronic properties of CsPb1−xSnxI3 as a polymorphic alloy von Araujo, Luis Octavio de, Rêgo, Celso R.C., Wenzel, Wolfgang, Bastos, Carlos Maciel de Oliveira, Piotrowski, Maurício J., Dias, Alexandre C., Guedes-Sobrinho, Diego

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Enhancing topological Weyl Semimetals by Janus transition-metal dichalcogenides structures von Griffith, M.A.R., Rufo, S., Dias, Alexandre C., Da Silva, Juarez L.F.

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Promising TMDC-like optical and excitonic properties of the TiBr 2H monolayer von Batista, André L. de O, Palheta, João Marcos T, Piotrowski, Maurício J, Rêgo, Celso R. C, Guedes-Sobrinho, Diego, Dias, Alexandre C

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Excitonic properties and solar harvesting performance of Cs2ZnY2X2 as quasi-2D mixed-halide perovskites von Silveira, Danilo Neves, Dias, Alexandre C., Araujo, Luis Octavio de, Queiroz, Marco A.A., Dalmedico, Jônatas Favotto, Bastos, Carlos Maciel de Oliveira, Rêgo, Celso R.C., Piotrowski, Maurício J., Guedes-Sobrinho, Diego

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Electronic, Excitonic, and Optical Properties of Zinc Blende Boron Arsenide Tuned by Hydrostatic Pressure von da Silva Barboza, Elisangela, Dias, Alexandre C., Craco, Luis, Carara, Sabrina S., da Costa, Diego R., A. S. Pereira, Teldo

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Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys von dos Santos, Ramiro M., Ornelas−Cruz, Iván, Dias, Alexandre C., Lima, Matheus P., Da Silva, Juarez L. F.

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