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Investigation on the structural, mechanical and functional properties of carbon-based nanostructures

Grant number: 16/18499-0
Support type:Scholarships in Brazil - Post-Doctorate
Effective date (Start): January 01, 2017
Effective date (End): December 31, 2021
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Cooperation agreement: Coordination of Improvement of Higher Education Personnel (CAPES)
Principal Investigator:Douglas Soares Galvão
Grantee:Eliezer Fernando de Oliveira
Home Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
Associated research grant:13/08293-7 - CCES - Center for Computational Engineering and Sciences, AP.CEPID
Associated scholarship(s):19/07157-9 - Designing new 3D structures from zeolite templates for 3D Printing applications, BE.EP.PD

Abstract

In this project we intent to carry out a multi-scale investigation on the structural, mechanical and functional properties of some carbon-based nanostructures. We will investigate three correlated problem involving carbon nanotubes. We selected problems were carbon nanotube serpentines, the synthesis of carbon nanotubes inside zeolites and artificial muscles make of carbon nanotube yarns. We will use a multi-scale approach, combining ab initio methods, classical and quantum molecular dynamics simulations and finite elements methods. (AU)

Scientific publications (16)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
OLIVEIRA, ELIEZER F.; MACHADO, LEONARDO D.; BAUGHMAN, RAY H.; GALVAO, DOUGLAS S. Three-dimensional carbon nanotube networks from beta zeolite templates: Thermal stability and mechanical properties. COMPUTATIONAL MATERIALS SCIENCE, v. 182, SEP 2020. Web of Science Citations: 0.
JOYNER, JARIN; OLIVEIRA, ELIEZER F.; YAMAGUCHI, HISATO; KATO, KEIKO; VINOD, SOUMYA; GALVAO, DOUGLAS S.; SALPEKAR, DEVASHISH; ROY, SOUMYABRATA; MARTINEZ, ULISES; TIWARY, CHANDRA S.; OZDEN, SEHMUS; AJAYAN, PULICKEL M. Graphene Supported MoS2 Structures with High Defect Density for an Efficient HER Electrocatalysts. ACS APPLIED MATERIALS & INTERFACES, v. 12, n. 11, p. 12629-12638, MAR 18 2020. Web of Science Citations: 1.
NAKAR, DEKEL; GORDEEV, GEORGY; MACHADO, LEONARDO D.; POPOVITZ-BIRO, RONIT; RECHAV, KATYA; OLIVEIRA, ELIEZER F.; KUSCH, PATRYK; JORIO, ADO; GALVAO, DOUGLAS S.; REICH, STEPHANIE; JOSELEVICH, ERNESTO. Few-Wall Carbon Nanotube Coils. Nano Letters, v. 20, n. 2, p. 953-962, FEB 2020. Web of Science Citations: 0.
ROUT, ARPAN; GUMASTE, ANURAG; PANDEY, PRAFUL; OLIVEIRA, ELIEZER FERNANDO; DEMISS, SOLOMON; MAHESH, VAIKKARA PURUSHOTHAMAN; BHATT, CHINTAN; RAPHAEL, KIRAN; AYYAGARI, RAVI SASTRI; AUTRETO, PEDRO A. S.; PALIT, MITHUN; OLU, FEMI; GALVAO, DOUGLAS S.; ARORA, AMIT; TIWARY, CHANDRA SEKHAR. Bioinspired Aluminum Composite Reinforced with Soft Polymers with Enhanced Strength and Plasticity. ADVANCED ENGINEERING MATERIALS, v. 22, n. 3 JAN 2020. Web of Science Citations: 0.
LASCANE, LEONARDO GOIS; OLIVEIRA, ELIEZER FERNANDO; BATAGIN-NETO, AUGUSTO. Polyfuran-based chemical sensors: reactivity analysis via Fukui indexes and reactive molecular dynamics. MRS ADVANCES, v. 5, n. 10, SI, p. 497-503, 2020. Web of Science Citations: 0.
OLIVEIRA, ELIEZER F.; MACHADO, LEONARDO D.; BAUGHMAN, RAY H.; GALVAO, DOUGLAS S. Zeolite-templated Carbon Network: A Beta Zeolite Case Study. MRS ADVANCES, v. 5, n. 14-15, SI, p. 751-756, 2020. Web of Science Citations: 0.
MALVIYA, KIRTIMAN D.; OLIVEIRA, ELIEZER F.; AUTRETO, PEDRO A. S.; AJAYAN, PULICKEL M.; GALVAO, DOUGLAS S.; TIWARY, CHANDRA S.; CHATTOPADHYAY, KAMANIO. Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study. JOURNAL OF PHYSICS D-APPLIED PHYSICS, v. 52, n. 44 OCT 30 2019. Web of Science Citations: 0.
OLIVEIRA, ELIEZER F.; AUTRETO, PEDRO A. S.; WOELLNER, CRISTIANO F.; GALVAO, DOUGLAS S. On the mechanical properties of protomene: A theoretical investigation. COMPUTATIONAL MATERIALS SCIENCE, v. 161, p. 190-198, APR 15 2019. Web of Science Citations: 2.
ROUT, ARPAN; PANDEY, PRAFULL; OLIVEIRA, ELIEZER FERNANDO; DA SILVA AUTRETO, PEDRO ALVES; GUMASTE, ANURAG; SINGH, AMIT; GALVAO, DOUGLAS SOARES; ARORA, AMIT; TIWARY, CHANDRA SEKHAR. Atomically locked interfaces of metal (Aluminum) and polymer (Polypropylene) using mechanical friction. Polymer, v. 169, n. SI, p. 148-153, APR 15 2019. Web of Science Citations: 1.
DOS SANTOS, GIOVANNY CARVALHO; OLIVEIRA, ELIEZER FERNANDO; LAVARDA, FRANCISCO CARLOS; DA SILVA-FILHO, LUIZ CARLOS. Designing new quinoline-based organic photosensitizers for dye-sensitized solar cells (DSSC): a theoretical investigation. Journal of Molecular Modeling, v. 25, n. 3 MAR 2019. Web of Science Citations: 1.
OLIVEIRA, ELIEZER F.; AUTRETO, PEDRO A. S.; WOELLNER, CRISTIANO F.; GALVAO, DOUGLAS S. Mechanical Properties of Protomene: A Molecular Dynamics Investigation. MRS ADVANCES, v. 4, n. 3-4, p. 191-196, 2019. Web of Science Citations: 0.
OLIVEIRA, ELIEZER FERNANDO; DA SILVA AUTRETO, PEDRO ALVES; WOELLNER, CRISTIANO FRANCISCO; GALVAO, DOUGLAS SOARES. On the mechanical properties of novamene: A fully atomistic molecular dynamics and DFT investigation. Carbon, v. 139, p. 782-788, NOV 2018. Web of Science Citations: 4.
ALVES, GABRIEL G. B.; OLIVEIRA, ELIEZER F.; BATAGIN-NETO, AUGUSTO; LAVARDA, FRANCISCO C. Molecular modeling of low bandgap diblock co-oligomers with pi-bridges for applications in photovoltaics. COMPUTATIONAL MATERIALS SCIENCE, v. 152, p. 12-19, SEP 2018. Web of Science Citations: 2.
OLIVEIRA, ELIEZER FERNANDO; DA SILVA AUTRETO, PEDRO ALVES; GALVO, DOUGLAS SOARES. On hardening silver nanocubes by high-velocity impacts: a fully atomistic molecular dynamics investigation. Journal of Materials Science, v. 53, n. 10, p. 7486-7492, MAY 2018. Web of Science Citations: 2.
OLIVEIRA, ELIEZER FERNANDO; BARBOSA DOS SANTOS, RICARDO PAUPITZ; DA SILVA ANTRETO, PEDRO ALVES; MOSHKALEV, STANISLAV; GALVAO, DOUGLAS SOARES. Improving Graphene-metal Contacts: Thermal Induced Polishing. MRS ADVANCES, v. 3, n. 1-2, p. 73-78, 2018. Web of Science Citations: 2.
OLIVEIRA, ELIEZER FERNANDO; DA SILVA AUTRETO, PEDRO ALVES; GALVAO, DOUGLAS SOARES. Silver Hardening via Hypersonic Impacts. MRS ADVANCES, v. 3, n. 8-9, p. 489-494, 2018. Web of Science Citations: 0.

Please report errors in scientific publications list by writing to: cdi@fapesp.br.