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Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment
Doi.org/10.1016/j.commatsci.2019.109160Received 12 April 2019Received in revised form 17 July 2019Accepted 20 July 2019 Abstract Van der Waals (vdW) layered materials have been receiving a great deal of attention, especially after the scotchtape experiment using...
III CINE – CMSC Workshop Hands-On
III CINE-CMSC Workshop: Fundamentals of Molecular Dynamics Simulations with Hands-on The Quantum Theory of Nanomaterials group, coordinated by Prof. Dr. rer. Nat. Juarez LF Da Silva, is always seeking knowledge, new experiences and opportunities. In this...
Division IV CINE CMSC
Division 4 – Computational Material Science and ChemistryThe CMSC division combines the expertise of young researchers located in the most prestigious institutions of São Paulo state to deliver cutting-edge solutions for for the field of new energies. The division is...
Edge, Size, and Shape Effects on WS2, WSe2, and WTe2 Nanoflake Stability: Design Principles from an Ab Initio Investigation
DOI: 10.1039/C9CP03698A (Paper) Phys. Chem. Chem. Phys., 2019, Accepted Manuscript Augusto Cesar Huppes Da Silva , Naidel A. M. S. Caturello , Rafael Besse , Matheus Paes Lima and Juarez L. F. Da Silva Received 1st July 2019 , Accepted 26th September 2019 First...
(Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperature
DOI: 10.1021/acs.jpclett.8b03397 - J. Phys. Chem. Lett. 2019, 10, 685−692Diego Guedes-Sobrinho, Weiqi WangIan P. Hamilton, Juarez L. F. Da Silva, Luca M. Ghiringhelli Received: November 7, 2018 Accepted: January 25, 2019 Published: January 25, 2019 Abstract Gold...
The influence of hydroxy groups on the adsorption of three-carbon alcohols on Ni(111), Pd(111) and Pt(111) surfaces…
DOI: 10.1039/C9CP00752K (Paper) Phys. Chem. Chem. Phys., 2019, 21, 8434-8444Paulo C. D. Mendes, Rafael Costa-Amaral, Janaina F. Gomesb and Juarez L. F. Da Silva Received 6th February 2019, Accepted 20th March 2019 Abstract Experimentally, steric and inductive effects...