Searching for new two dimensional materials: thermodynamic properties

• Grant number: 19/04176-2
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: May 01, 2019
• End date: August 31, 2022
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Gustavo Martini Dalpian
• Grantee: Gabriel de Miranda Nascimento
• Host Institution: Centro de Ciências Naturais e Humanas (CCNH). Universidade Federal do ABC (UFABC). Ministério da Educação (Brasil). Santo André , SP, Brazil
• Associated research grant: 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties, AP.TEM
• Associated scholarship(s): 21/10714-7 - Computational methods in the age of materials informatics: discovery and design of novel 2d compounds, BE.EP.IC

Abstract

Two-dimensional materials can have unique electronic and magnetic properties that make them attractive in researching new materials. Currently we have several new 2D compounds among which the most studied are graphene, phosphorene, silicene, germanene and MoS2. There is in the scientific community the prospect that other stable two-dimensional materials can still be discovered, always seeking a specific property that overlaps the bulk that are known. One of the great challenges of this area is to describe how stable these materials are. The present project intends to develop a study on the thermodynamic stability of these materials. However, in addition to canonical work, the student should work deep in interactions with Big-Data's international initiatives in materials and focusing on their properties when interacting in multilayers.

Scientific publications

(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)

NASCIMENTO, GABRIEL M.; OGOSHI, ELTON; FAZZIO, ADALBERTO; ACOSTA, CARLOS MERA; DALPIAN, GUSTAVO M.. High-throughput inverse design and Bayesian optimization of functionalities: spin splitting in two-dimensional compounds. SCIENTIFIC DATA, v. 9, n. 1, p. 18-pg., 2022-04-29. (17/02317-2, 19/04176-2, 18/11856-7, 18/11641-0)