| Electronic structure and optical properties of BaMoO4 powders JC Sczancoski, LS Cavalcante, NL Marana, RO da Silva, RL Tranquilin, ... Current Applied Physics 10 (2), 614-624, 2010 | 203 | 2010 |
| Electronic and structural properties of the (1010) and (1120) ZnO surfaces NL Marana, VM Longo, E Longo, JBL Martins, JR Sambrano The Journal of Physical Chemistry A 112 (38), 8958-8963, 2008 | 126 | 2008 |
| CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic Pollutants RAC Amoresi, RC Oliveira, NL Marana, PB De Almeida, PS Prata, ... ACS Applied Nano Materials 2 (10), 6513-6526, 2019 | 106 | 2019 |
| CRYSTAL23: a program for computational solid state physics and chemistry A Erba, JK Desmarais, S Casassa, B Civalleri, L Donà, IJ Bush, B Searle, ... Journal of Chemical Theory and Computation 19 (20), 6891-6932, 2022 | 81 | 2022 |
| Toward an understanding of intermediate-and short-range defects in ZnO single crystals. A combined experimental and theoretical study RC Lima, LR Macario, JWM Espinosa, VM Longo, R Erlo, NL Marana, ... The Journal of Physical Chemistry A 112 (38), 8970-8978, 2008 | 77 | 2008 |
| A theoretical and experimental investigation of Eu-doped ZnO nanorods and its application on dye sensitized solar cells AFV da Fonseca, RL Siqueira, R Landers, JL Ferrari, NL Marana, ... Journal of Alloys and Compounds 739, 939-947, 2018 | 59 | 2018 |
| Propriedades eletrônicas, estruturais e constantes elásticas do ZnO NL Marana, JR Sambrano, AR Souza Química Nova 33, 810-815, 2010 | 49 | 2010 |
| Structural, electronic and mechanical properties of single-walled AlN and GaN nanotubes via DFT/B3LYP GB Pinhal, NL Marana, GSL Fabris, JR Sambrano Theoretical Chemistry Accounts 138, 1-11, 2019 | 42 | 2019 |
| Adsorption of NH3 with Different Coverages on Single-Walled ZnO Nanotube: DFT and QTAIM Study NL Marana, SM Casassa, JR Sambrano The Journal of Physical Chemistry C 121 (14), 8109-8119, 2017 | 41 | 2017 |
| Theoretical study of porous surfaces derived from graphene and boron nitride GSL Fabris, NL Marana, E Longo, JR Sambrano Journal of Solid State Chemistry 258, 247-255, 2018 | 37 | 2018 |
| Structural, electronic, vibrational, and topological analysis of single-walled zinc oxide nanotubes NL Marana, S Casassa, E Longo, JR Sambrano The Journal of Physical Chemistry C 120 (12), 6814-6823, 2016 | 33 | 2016 |
| Influence of Synthesis Time on the Morphology and Properties of CeO2 Nanoparticles: An Experimental–Theoretical Study RC De Oliveira, RAC Amoresi, NL Marana, MA Zaghete, M Ponce, ... Crystal Growth & Design 20 (8), 5031-5042, 2020 | 32 | 2020 |
| Cation-exchange mediated synthesis of hydrogen and sodium titanates heterojunction: Theoretical and experimental insights toward photocatalyic mechanism IM Iani, V Teodoro, NL Marana, U Coleto Jr, JR Sambrano, AZ Simões, ... Applied Surface Science 538, 148137, 2021 | 31 | 2021 |
| Periodic density functional theory study of structural and electronic properties of single-walled zinc oxide and carbon nanotubes NL Marana, AR Albuquerque, FA La Porta, E Longo, JR Sambrano Journal of Solid State Chemistry 237, 36-47, 2016 | 31 | 2016 |
| Piezoelectric, elastic, Infrared and Raman behavior of ZnO wurtzite under pressure from periodic DFT calculations NL Marana, SM Casassa, JR Sambrano Chemical Physics 485, 98-107, 2017 | 24 | 2017 |
| Porous silicene and silicon graphenylene-like surfaces: a DFT study GSL Fabris, NL Marana, E Longo, JR Sambrano Theoretical Chemistry Accounts 137, 1-9, 2018 | 20 | 2018 |
| New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion GSL Fabris, NL Marana, JAS Laranjeira, E Longo, JR Sambrano Materials Letters 275, 128067, 2020 | 19 | 2020 |
| Experimental and theoretical interpretation of the order/disorder clusters in CeO2: La LSR Rocha, RAC Amoresi, TM Duarte, NL Marana, JR Sambrano, ... Applied Surface Science 510, 145216, 2020 | 19 | 2020 |
| Computational simulations of ZnO@ GaN and GaN@ ZnO core@ shell nanotubes NL Marana, S Casassa, E Longo, JR Sambrano Journal of Solid State Chemistry 266, 217-225, 2018 | 16 | 2018 |
| Piezoelectric response of porous nanotubes derived from hexagonal boron nitride under strain influence GSL Fabris, NL Marana, E Longo, JR Sambrano ACS omega 3 (10), 13413-13421, 2018 | 12 | 2018 |
