| 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 | 135 | 2016 |
| First-principles calculations and electron density topological analysis of covellite (CuS) A Morales-García, AL Soares Jr, EC Dos Santos, HA De Abreu, ... The Journal of Physical Chemistry A 118 (31), 5823-5831, 2014 | 134 | 2014 |
| 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 | 73 | 2021 |
| 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 | 57 | 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 | 47 | 2022 |
| 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 | 47 | 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 | 38 | 2020 |
| Adsorption energies on transition metal surfaces: towards an accurate and balanced description RB Araujo, GLS Rodrigues, EC Dos Santos, LGM Pettersson Nature Communications 13 (1), 6853, 2022 | 35 | 2022 |
| 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 | 26 | 2016 |
| 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 | 25 | 2018 |
| 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 | 25 | 2018 |
| 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 | 24 | 2017 |
| 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 | 24 | 2016 |
| 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 | 23 | 2021 |
| 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 | 20 | 2020 |
| Construction of diluted magnetic semiconductor to endow nonmagnetic semiconductor with spin-regulated photocatalytic performance W Gao, X Zhao, T Zhang, X Yu, Y Ma, EC dos Santos, J White, H Liu, ... Nano Energy 110, 108381, 2023 | 19 | 2023 |
| 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 | 19 | 2015 |
| 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 | 18 | 2020 |
| Properties of interfaces between copper and copper sulphide/oxide films JH Stenlid, EC dos Santos, AJ Johansson, LGM Pettersson Corrosion Science 183, 109313, 2021 | 13 | 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 | 12 | 2019 |
Lars G M PetterssonProfessor of Chemical Physics, Stockholm UniversityVerified email at fysik.su.se
