Sérgio Rodrigues Tavares Filho
Professor Adjunto
CV Lattes: http://lattes.cnpq.br/7558615421219316
ORCID: https://orcid.org/0000-0002-6401-8635
Linha de pesquisa: Estrutura Eletrônica e Catálise Heterogênea
Projetos:
IIntercalação de fármacos e produtos naturais em materiais lamelares.
Adsorção e dopagem em bioMOF.
Publicações dos últimos 5 anos:
1.
HADDAD, JULIANA F. S. ; TAVARES, SÉRGIO R. ; CHIARO, SANDRA S. X. ; SOUZA, WLADMIR F. ; LEITÃO, ALEXANDRE A. . Computational Studies of MoS Nanotubes for Hydrodesulfurization. Acs Applied Nano Materials, v. 5, p.2029-2037, 2022.
2.
TAVARES, SERGIO R.; R. MORAES, PEDRO IVO ; LEITÃO, ALEXANDRE A. . DFT and Force-Field Based MD Simulations of Formamide Intercalation in LDH and Its Exfoliated Form. APPLIED SURFACE SCIENCE, v. 552, p.149450-149450, 2021.
3.
CARJA, IONELA-DANIELA ; TAVARES, SERGIO RODRIGUES ; SHEKHAH, OSAMA ; OZCAN, AYDIN ; SEMINO, ROCIO ; KALE, VINAYAK S. ; EDDAOUDI, MOHAMED ; MAURIN, GUILLAUME . Insights into the Enhancement of MOF/Polymer Adhesion in Mixed-Matrix Membranes Polymer Functionalization. ACS Applied Materials & Interfaces, v. 13, p. 29041-29047, 2021.
4.
TAVARES, SÉRGIO R.; CARVALHO, CHARLES ; MANTOVANI, KAREN M. ; WYPYCH, FERNANDO ; NAKAGAKI, SHIRLEY ; LEITÃO, ALEXANDRE A. . Adsorption of an iron(III)porphyrin onto a 2:1 Zn/Al-CO3 layered double hydroxide and its use as an oxidation catalyst with different counter ions: An experimental and DFT study. APPLIED CLAY SCIENCE, v. 185, p. 105410, 2020.
5.
TAVARES, SERGIO R.; HADDAD, JULIANA F.S. ; IVO R. MORAES, PEDRO ; LEITÃO, ALEXANDRE A. . Computational exploration of the anion exchange on the basal surface of layered double hydroxides by molecular dynamics. APPLIED SURFACE SCIENCE, v. 513, p. 145743, 2020.
6.
PINTO, ROSANA V. ; WANG, SUJING ; TAVARES, SERGIO R. ; PIRES, JOÃO ; ANTUNES, FERNANDO ; VIMONT, ALEXANDRE ; CLET, GUILLAUME ; DATURI, MARCO ; MAURIN, GUILLAUME ; SERRE, CHRISTIAN ; PINTO, MOISÉS L. . Tuning Cellular Biological Functions Through the Controlled Release of NO from a Porous Ti-MOF. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v. 59, p.5135-5143, 2020.
7.
SILVA, BRUNA NÁDIA N. ; TAVARES, SERGIO R. ; LEIT’O, ALEXANDRE A. .Exfoliation of zirconium aminophosphonates: investigation into their electronic structures by ab initio calculations. NEW JOURNAL OF CHEMISTRY, v. 44, p. 10111-10118, 2020.
8.
VAN DEN BERGH, MATTHIAS ; KRAJNC, ANDRA’ ; VOORSPOELS, STEFAN ; TAVARES, SERGIO RODRIGUES ; MULLENS, STEVEN ; BEURROIES, ISABELLE ; MAURIN, GUILLAUME ; MALI, GREGOR ; DE VOS, DIRK E. . Highly Selective Removal of Perfluorinated Contaminants by Adsorption on All¿Silica Zeolite Beta. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v. 59, p. 14086-14090, 2020.
9.
TAVARES, SERGIO R.; NANGOI, INNA M. ; LEITÃO, ALEXANDRE A. . Computational investigation of two-dimensional LDHs and the modification of their electronic structure induced by defects. APPLIED SURFACE SCIENCE, v. 532, p. 147159, 2020.
10.
TCHALALA, M. R. ; BHATT, P. M. ; CHAPPANDA, K. N. ; TAVARES, S. R. ; ADIL, K. ; BELMABKHOUT, Y. ; SHKURENKO, A. ; CADIAU, A. ; HEYMANS, N. ;
DE WEIRELD, G. ; MAURIN, G. ; SALAMA, K. N. ; EDDAOUDI, M. . Fluorinated MOF platform for selective removal and sensing of SO2 from flue gas and air. Nature Communications, v. 10, p. 1328, 2019.
11.
BENZAQUI, MARVIN ; SEMINO, ROCIO ; CARN, FLORENT ; TAVARES, SERGIO RODRIGUES ; MENGUY, NICOLAS ; GIMÉNEZ-MARQUÉS, MÓNICA ; BELLIDO, ELENA ;
HORCAJADA, PATRICIA ; BERTHELOT, THOMAS ; KUZMINOVA, ANNA I. ; DMITRENKO, MARIA E. ; PENKOVA, ANASTASIA V. ; ROIZARD, DENIS ; SERRE,
CHRISTIAN ; MAURIN, GUILLAUME ; STEUNOU, NATHALIE . Covalent and Selective Grafting of Polyethylene Glycol Brushes at the Surface of ZIF-8 for the Processing of Membranes for Pervaporation. ACS Sustainable Chemistry & Engineering, v. 7, p. 6629-6639, 2019.
12.
TAVARES, SERGIO R.; MORAES, PEDRO IVO R. ; CAPAZ, RODRIGO B. ; LEITÃO, ALEXANDRE A. . Novel 2D materials from exfoliation of layered hydroxide
salts: A theoretical study. APPLIED SURFACE SCIENCE, v. 483, p. 762-771, 2019.
13.
DUAN, PU ; MORETON, JESSICA C. ; TAVARES, SERGIO R. ; SEMINO, ROCIO ; MAURIN, GUILLAUME ; COHEN, SETH M. ; SCHMIDT-ROHR, KLAUS . Polymer
Infiltration into Metal-Organic Frameworks in Mixed-Matrix Membranes Detected in Situ by NMR. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.141, p. 7589-7595, 2019.
14.
NANGOI, INNA M. ; TAVARES, SÉRGIO R. ; WYPYCH, FERNANDO ; LEITÃO, ALEXANDRE A. . Investigation of benzophenone adsolubilized into Zn3Al-LDH intercalated with dodecylsulfate by DFT calculations. APPLIED CLAY SCIENCE, v. 179, p. 105153, 2019.
15.
TAVARES, SERGIO RODRIGUES; RAMSAHYE, NASEEM AHMED ; ADIL, KARIM ; EDDAOUDI, MOHAMED ; MAURIN, GUILLAUME ; SEMINO, ROCIO . Computationally
Assisted Assessment of the Metal-Organic Framework/Polymer Compatibility in Composites Integrating a Rigid Polymer. Advanced Theory and Simulations, v. -, p. 1900116-1900123, 2019.
16.
NOVAIS ANTUNES, FLORENCE P. ; VAISS, VIVIANE S. ; TAVARES, SÉRGIO R. ; CAPAZ, RODRIGO B. ; LEITÃO, ALEXANDRE A. . Van der Waals interactions
and the properties of graphite and 2H-, 3R- and 1T-MoS 2 : A comparative study. COMPUTATIONAL MATERIALS SCIENCE, v. 152, p. 146-150, 2018.
17.
MORAES, PEDRO IVO R. ; TAVARES, SÉRGIO R. ; VAISS, VIVIANE S. ; LEITÃO, ALEXANDRE A. . Investigation on sustainable phosphate release in
agriculture: Structural and thermodynamic study of stability, dehydration and anionic exchange of Mg-Al-HPO 4 layered double hydroxide by DFT calculations. APPLIED CLAY SCIENCE, v. 162, p. 428-434, 2018.
18.
CHENG, YOUDONG ; TAVARES, SÉRGIO R. ; DOHERTY, CARA M. ; YING, YUNPAN ; SARNELLO, ERIK ; MAURIN, GUILLAUME ; HILL, MATTHEW R. ; LI, TAO ; ZHAO, DAN . Enhanced Polymer Crystallinity in Mixed-Matrix Membranes Induced by Metal-Organic Framework Nanosheets for Efficient CO Capture. ACS Applied Materials & Interfaces, v. 10, p. 43095-43103, 2018