Egon Campos dos Santos

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"Helio Anderson Duarte" OU "Helio A....Department of Chemistry, Universidade Federal de Minas GeraisVerified email at ufmg.br
Lars G M PetterssonProfessor of Chemical Physics, Stockholm UniversityVerified email at fysik.su.se
Heitor Avelino de AbreuProfessor of Chemistry, Universidade Federal de Minas GeraisVerified email at ufmg.br
Juliana Cecília de Mendonça SilvaPostdoc in Chemistry, Max Planck Institute for Chemical Energy ConversionVerified email at cec.mpg.de
Joakim Halldin StenlidPostdoc, Stanford UniversityVerified email at stanford.edu
Ángel Morales-GarcíaUniversitat de Barcelona & IQTCUB (ORCID: 0000-0003-0491-1234)Verified email at ub.edu
Rafael B. AraujoStockholm UniversityVerified email at fysik.su.se
Alexander BaggerImperial College LondonVerified email at imperial.ac.uk
Jan RossmeislUniversity of Copenhagen, Department of ChemistryVerified email at chem.ku.dk
Thomas HeineProfessor of Theoretical ChemistryVerified email at tu-dresden.de
Mats JohnssonProfessor of inorganic chemistry at Stockholm UniversityVerified email at mmk.su.se
Adam Johannes JohanssonSwedish Nuclear Fuel and Waste Management Co.Verified email at skb.se
Rosa M. Arán-AisGenT Distinguished Researcher (Institute of Electrochemistry- University of Alicante)Verified email at ua.es
Beatriz Roldan CuenyaFritz Haber Institute of the Max Planck SocietyVerified email at fhi-berlin.mpg.de
German Salazar-AlvarezUppsala UniversityVerified email at angstrom.uu.se
Anders HellmanProfessor, Physics, ChalmersVerified email at chalmers.se
Maurício C. SilvaEXPLOR - Mésocentre de calcul et maison de la simulation - Université de LorraineVerified email at univ-lorraine.fr
Logi ArnarsonUniversity of CopenhagenVerified email at chem.ku.dk
María Escudero-EscribanoICREA Professor, Catalan Institute of Nanoscience and Nanotechnology (ICN2)Verified email at icn2.cat
Frank Abild-PedersenSenior Staff Scientist SLAC National Accelerator LaboratoryVerified email at slac.stanford.edu

Egon Campos dos Santos

Assistant Professor, Tohoku University

Verified email at tohoku.ac.jp

Computational/physical chemistry


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First-principles calculations and electron density topological analysis of covellite (CuS) A Morales-García, AL Soares Jr, EC Dos Santos, HA de Abreu, HA Duarte The Journal of Physical Chemistry A 118 (31), 5823-5831, 2014	112	2014
Pyrite oxidation mechanism by oxygen in aqueous medium EC Dos Santos, JC de Mendonça Silva, HA Duarte The Journal of Physical Chemistry C 120 (5), 2760-2768, 2016	95	2016
Ab initio cyclic voltammetry on Cu (111), Cu (100) and Cu (110) in acidic, neutral and alkaline solutions A Bagger, RM Arán‐Ais, J Halldin Stenlid, E Campos dos Santos, ... ChemPhysChem 20 (22), 3096-3105, 2019	45	2019
Electrocatalytic Glycerol Oxidation with Concurrent Hydrogen Evolution Utilizing an Efficient MoOx/Pt Catalyst X Yu, EC Dos Santos, J White, G Salazar‐Alvarez, LGM Pettersson, ... Small, 2104288, 2021	34	2021
Stability, structure, and electronic properties of the pyrite/arsenopyrite solid–solid interface–A DFT study EC Dos Santos, MP Lourenço, LGM Pettersson, HA Duarte The Journal of Physical Chemistry C 121 (14), 8042-8051, 2017	30	2017
Elucidating the role of Ni to enhance the methanol oxidation reaction on Pd electrocatalysts RB Araujo, D Martin-Yerga, EC dos Santos, A Cornell, LGM Pettersson Electrochimica Acta 360, 136954, 2020	25	2020
Adsorption of water, sulfates and chloride on arsenopyrite surface JCM Silva, EC dos Santos, A de Oliveira, T Heine, HA De Abreu, ... Applied Surface Science 434, 389-399, 2018	21	2018
The Stability and Structural, Electronic and Topological Properties of Covellite (001) Surfaces. AL Soares Jr, EC Dos Santos, Á Morales‐García, HA Duarte, ... ChemistrySelect 1 (11), 2730-2741, 2016	21	2016
Two-dimensional crystal CuS—electronic and structural properties AL Soares Jr, EC Dos Santos, A Morales-García, T Heine, HA De Abreu, ... 2D Materials 4 (1), 015041, 2016	18	2016
Oxidation mechanism of arsenopyrite in the presence of water JCM Silva, EC Dos Santos, T Heine, HA De Abreu, HA Duarte The Journal of Physical Chemistry C 121 (48), 26887-26894, 2017	17	2017
Structural, electronic, and mechanical properties of inner surface modified imogolite nanotubes MC da Silva, EC dos Santos, MP Lourenco, MP Gouvea, HA Duarte Frontiers in Materials 2, 16, 2015	15	2015
Accurate SCC-DFTB parametrization for bulk water MP Lourenco, EC Dos Santos, LGM Pettersson, HA Duarte Journal of Chemical Theory and Computation 16 (3), 1768-1778, 2020	14	2020
Spin Uncoupling in Chemisorbed OCCO and CO₂: Two High-Energy Intermediates in Catalytic CO₂ Reduction S Hedstrom, EC dos Santos, C Liu, K Chan, F Abild-Pedersen, ... The Journal of Physical Chemistry C 122 (23), 12251-12258, 2018	14	2018
Partial electrooxidation of glycerol on close-packed transition metal surfaces: insights from first-principles calculations M Valter, EC dos Santos, LGM Pettersson, A Hellman The Journal of Physical Chemistry C 124 (33), 17907-17915, 2020	12	2020
Selectivity of the first two glycerol dehydrogenation steps determined using scaling relationships M Valter, EC Santos, LGM Pettersson, A Hellman ACS Catalysis 11 (6), 3487-3497, 2021	11	2021
Electrochemical interface during corrosion of copper in anoxic sulfide-containing groundwater—a computational study JH Stenlid, EC Dos Santos, A Bagger, AJ Johansson, J Rossmeisl, ... The Journal of Physical Chemistry C 124 (1), 469-481, 2019	11	2019
Hydrogen Evolution Linked to Selective Oxidation of Glycerol over CoMoO₄—A Theoretically Predicted Catalyst X Yu, RB Araujo, Z Qiu, E Campos dos Santos, A Anil, A Cornell, ... Advanced Energy Materials 12 (14), 2103750, 2022	10	2022
Properties of interfaces between copper and copper sulphide/oxide films JH Stenlid, EC dos Santos, AJ Johansson, LGM Pettersson Corrosion Science 183, 109313, 2021	6	2021
Uncovering the electrochemical interface of low-index copper surfaces in deep groundwater environments JH Stenlid, EC dos Santos, RM Arán-Ais, A Bagger, AJ Johansson, ... Electrochimica Acta 362, 137111, 2020	6	2020
Structural, mechanical and electronic properties of nano-fibriform silica and its organic functionalization by dimethyl silane: a SCC-DFTB approach MC da Silva, EC dos Santos, MP Lourenço, HA Duarte Journal of molecular modeling 19, 1995-2005, 2013	6	2013

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