Computational Modeling and Simulation of Interfaces between Organic and/or Inorganic Materials

• Grant number: 23/08122-0
• Support Opportunities: Regular Research Grants
• Start date: February 01, 2024
• End date: January 31, 2026
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Eliezer Fernando de Oliveira
• Grantee: Eliezer Fernando de Oliveira
• Host Institution: Faculdade de Ciências (FC). Universidade Estadual Paulista (UNESP). Campus de Bauru. Bauru , SP, Brazil
• Associated researchers: Augusto Batagin Neto

Abstract

Through computational modeling and simulation of materials, it is intended to study interfaces between organic and/or inorganic materials and their impact on the functioning and efficiency of technological devices. This research project proposes to study more specifically (i) interfaces between diamond and boron nitride for applications in field effect transistors and (ii) the effect of diamond surface modifications on its electronic structure and interfacial interaction with other materials organic and/or inorganic. It is expected to obtain relevant data on the interactions that occur in the interface and the understanding of the factors that influence its quality in order to provide the planning of optimized interfaces for future technological applications. (AU)

Scientific publications

(4)

(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)

AMBEKAR, RUSHIKESH S.; OLIVEIRA, ELIEZER F.; PUGAZHENTHI, PIRAISOODAN; SINGH, SHATRUGHAN; MAHAPATRA, DEBIPROSAD ROY; GALVAO, DOUGLAS S.; TIWARY, CHANDRA S.. Drop-Weight Impact Resistance of 3D-Printed Complex Zeolite-Inspired Structures. ADVANCED ENGINEERING MATERIALS, v. 26, n. 22, p. 14-pg., 2024-07-26. (23/08122-0)

BHADRA, JOLLY; SASSI, LUCAS M.; OLIVEIRA, ELIEZER FERNANDO; HACHTEL, JORDAN A.; PARANGUSAN, HEMALATHA; MALLICK, SHOAIB ALAM; AHMAD, ZUBAIR; GALVAO, DOUGLAS S.; PUTHIRATH, ANAND B.; VAJTAI, ROBERT; et al. An Impedance Humidity Sensor Based on CVD Grown WSe₂ 2D Films. ACS APPLIED ELECTRONIC MATERIALS, v. 6, n. 11, p. 10-pg., 2024-10-17. (23/08122-0)

PARRA, PEDRO ALTERO; OLIVEIRA, ELIEZER FERNANDO. Interfacial properties of composites based on h-BN and c-BN as a function of temperature: A molecular dynamics study. RS ADVANCE, v. N/A, p. 5-pg., 2025-02-03. (23/08122-0)

FOLEGATTI, FELIPPE; OLIVEIRA, ELIEZER FERNANDO. Study of the interfacial properties of heterostructures based on aluminum and hydrogenated diamond. RS ADVANCE, v. N/A, p. 6-pg., 2025-02-11. (23/08122-0)