CV Lattes
ORCID
Abstract
Multi-user high-performance computing cluster will be utilized to meet the needs of Division IV at the New Energy Innovation Center. The equipment will be installed in the Center of Informatics and Information Technology in São Carlos. (AU)
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Graduated in Physics (Bachelor's Degree) from the Federal University of Goiás, Goiânia, Brazil (1991-1994). Master of Science in Solid State Physics, by the Institute of Physics, University of São Paulo, São Paulo, Brazil (1995-1997), under the supervision of Prof. Dr. José Roberto Leite. PhD in Natural Sciences (Dr. rer. nat.) from the Technical University of Berlin and the Fritz-Haber Institute of the Max-Planck Society, Berlin, Germany (1998-2002), under the guidance of Prof. Dr. Mathias Scheffler. Postdoc I at the Institute of Solid State Physics, Juelich Research Center, Juelich, Germany (2002-2004). Postdoctoral II at the Institute of Chemistry, Humboldt University of Berlin, Germany (2004-2006). Associate Researcher (postdoctoral fellow III) at the Center for Basic Science, National Renewable Energy Laboratory, Golden, Colorado, United States (2006-2009). After 11 years working abroad (8 years in Germany and 3 years in the United States), he returned to Brazil in August 2009, where he was a Young Researcher - FAPESP (postdoctoral IV) at the Institute of Physics of São Carlos, University from São Paulo, from 08/01/2009 to 05/17/2012, São Carlos, Brazil. University Professor in Full Dedication to Teaching and Research at the Institute of Chemistry of São Carlos, University of São Paulo, since 05/18/2022 -- PhD Professor (MS-3, 05/2012-07/2022), Associate Professor (MS-5, 07/2022-Present). In 2013, he obtained a level 2 CNPq productivity scholarship (Chemistry), promoted to Level 1C (Chemistry) in 2016 and to Level 1B (Chemistry) in 2020. Coordinator of several projects funded by FAPESP and CNPq, with emphasis on the program of Computational Science of Materials and Chemistry, at the Center for Innovation in New Energies (2018-2028), which is funded by FAPESP and Shell Petróleo Brasil Ltda. Works in the area of Computational Science of Materials and Chemistry using first principle methods (ab initio) based on Density Functional Theory for the study of metallic surfaces, molecular adsorption, oxides, semiconductors, clusters, nanoparticles, etc., and in the development of algorithms for global optimization of nanoparticle structure. In 2014 he founded the Quantum Theory of Nanomaterials group at the Institute of Chemistry of São Carlos. Several administrative activities have been carried out since the beginning of activities at the Institute of Chemistry of São Carlos, e.g., President of the Internationalization Commission, Member of the Graduate Commission, Representative of PhD professors in the congregation, Member of the board of the Physics-Chemistry department , etc. Since 06/2015 he is President of the Commission of Informatics of the Institute of Chemistry of São Carlos. (Source: Lattes Curriculum)
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Research grants
- Multi-User Equipment approved in grant 2017/11631-2: cluster computational de alto desempenho - ENIAC, AP.EMU
- Computational material science and chemistry, AP.PCPE
Abstract
Much of the energy consumed in the world comes from the burning of petroleum-based fossil fuels (oil diesel, gasoline, kerosene for aviation, and liquefied gas). Beyond the fuels to run our modern society, petroleum is also the raw material of an extensive chain of products, e.g., paraffin, asphalt products, petrochemical naphtha, solvents, plastics, etc. Despite the great importance of f…
- Theoretical prediction of the structure, thermodynamic stability, electronic, and reactivity properties of nanoclusters, AP.R
Abstract
The development of new catalysts is a constant goal in catalysis, which affects the productionof an infinity number of industrialized products. Thus, there is a great interest tounderstand, predict, and tune the physical and chemical properties of catalyst compounds,which is an essencial step to design new materials that can help to improve the turn overof chemical reactions and decrease …
- Computational catalysis: hydrogen production from ethanol, AP.JP
Abstract
The development of low-cost and long-term stability catalyst compounds for the production of hydrogen from ethanol is one of the main problems to be solved for large scale use of direct ethanol fuel cells. Steam reforming, which is one of the main routes to obtain hydrogen from ethanol, as well as ethanol oxidation, are critically dependent on the choice of the catalyst system. Therefore,…
Scholarships in Brazil
- Theoretical investigation of chiral molecules in the physicochemical properties of hybrid perovskites, BP.MS
Abstract
Perovskites, materials with main chemical formula ABX3 where A are cations of organic molecules and/or metalic cations (e.g. Cs+), B are transition metals with 2+ oxidation state, and X are halides, attract great interest for the application in photovoltaic devices due to low synthesis costs and high power conversion energy (PCE), exceeding 25 percent. Although perovskites have been widel…
- Theoretical investigation of transition-metal clusters supported on 2D materials as catalyst candidates for the CO2 reduction, BP.DD
Abstract
The increase in CO2 concentration in the atmosphere, mainly due to anthropogenic activities, has caused many problems on a global scale. One way to alleviate this problem is to withdraw CO2 from the atmosphere and transform it through electroreduction into value-added products. Due to the high stability of the molecule, it is necessary to choose specific catalysts to reduce CO2. Experimen…
- Computational study of methane conversion in new products using cerium oxide-based catalysts, BP.DR
Abstract
The growing demand for energy resources, leads to the search for new sources of alternative energies, which can replace the inputs derived from fossil fuels. In this sense, we are living today a period of transition from the use of non-renewable energies to renewable energies, in which the use of natural gas appears as an alternative in the production of new fuels. As an example of that w…
(Only some records are available in English at this moment)
- Study of the structural and energetic properties of nanoligas formed by CeO2-ZrO2 via molecular dynamics calculations, BP.IC
Abstract
In the face of global warming, intensified by the increase in the emission of CO2 from the burning of fossil fuels, there is an urgent search for ways to mitigate the emission of carbon dioxide, since climate change can be irreversible. Thus, as a promising approach for reducing emissions of CO2 and replacing the use of fossil fuels, there is the conversion of carbon dioxide into chemical…
- From ab initio to continuum methods to the screening of sodium-ion battery materials, BP.PD
Abstract
In the last 30 years, the lithium-ion batteries became the most used energy storage technology on the market, however, recent projections have shown that in the next decades the lithium could be scarce due to the increase in the battery demand. Due to the similarities with the lithium, the large abundance of the sodium in the planet, and the related costs of the materials used as battery …
- Methane activation on zirconia oxides nanoclusters, BP.IC
Abstract
The advancement of the industry and the increase of energy consumption, have been pushed the search for new materials and energy sources, which has increased over the years, starting with the combustion of wood and coal towards the use of oil and its associates for the production of electricity. Among those associates, Natural Gas is one of the most used, since it is an extremely versatil…
(Only some records are available in English at this moment)
Scholarships abroad
- Polarizable force fields for the Investigation of sodium-ion battery materials, BE.EP.PD
Abstract
The implementation of new renewable energy sources is a necessary step toward the mitigation of the CO2 emissions and the control of climate changes. However, due to the intermittent nature of these sources, it is necessary to use energy storage technologies such as supercapacitors and batteries. The low availability of lithium on Earth makes lithium batteries, the most batteries used tod…
- CO2 reduction on Cu-Au intermetallic surfaces: atomic ordering and adsorbate coverage effects, BE.EP.PD
Abstract
The electroreduction of CO2 is an interesting approach to fight the CO2 accumulation in the atmosphere and its environmental consequences. The technology can be used in conjunction to clean energy sources to provide a recycling route for CO2 while storing the excess of renewable energy into value-added products. Among different challenges, the development of active and selective catalysts…
- Ab Initio Design of van der Waals Heterostructures, BE.EP.DR
Abstract
Two-dimensional materials have been intensively investigated in the past years, owing to their exceptional properties, with great potential for several applications and for the study of new phenomena. Transition metal dichalcogenides have particularly attracted great interest, mostly because of the abundance of accessible compositions, allowing a wide variety of properties. However, the n…
- (meta)stability of transition metal at finite temperature, BE.EP.DR
Abstract
Finding and describing stable and metastable structures of metal - and in particular gold - nanoclusters, taking into account the environment, like solid supports and molecules in a colloidal suspensions, is one outstanding challenge for the theoretical methods in the material science. State-of-the-art quantum- mechanics methods are widely employed for studying nanoclusters systems at T =…
Total / Available in English
| 2 / 2 | Ongoing research grants |
| 2 / 2 | Completed research grants |
| 4 / 4 | Ongoing scholarships in Brazil |
| 31 / 23 | Completed scholarships in Brazil |
| 1 / 1 | Ongoing scholarships abroad |
| 3 / 3 | Completed scholarships abroad |
| 43 / 35 | All research grants and scholarships |
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