Stability of native defects in hexagonal and cubic boron nitride W Orellana, H Chacham
Physical Review B 63 (12), 125205, 2001
212 2001 Catalytic Properties of Transition Metal–N4 Moieties in Graphene for the Oxygen Reduction Reaction: Evidence of Spin-Dependent Mechanisms W Orellana
The Journal of Physical Chemistry C 117 (19), 9812-9818, 2013
182 2013 Comparative study of defect energetics in WL Scopel, AJR Da Silva, W Orellana, A Fazzio
Applied physics letters 84 (9), 1492-1494, 2004
128 2004 Metal-phthalocyanine functionalized carbon nanotubes as catalyst for the oxygen reduction reaction: a theoretical study W Orellana
Chemical Physics Letters 541, 81-84, 2012
76 2012 Small Pd clusters: A comparison of phenomenological and ab initio approaches J Rogan, G García, JA Valdivia, W Orellana, AH Romero, R Ramírez, ...
Physical Review B—Condensed Matter and Materials Physics 72 (11), 115421, 2005
76 2005 Structural, electronic and magnetic properties of vacancies in single-walled carbon nanotubes W Orellana, P Fuentealba
Surface science 600 (18), 4305-4309, 2006
71 2006 Stability and electronic properties of vacancies and antisites in J Rossato, RJ Baierle, W Orellana
Physical Review B—Condensed Matter and Materials Physics 75 (23), 235401, 2007
66 2007 First-principles calculations of carbon nanotubes adsorbed on Si (001) W Orellana, RH Miwa, A Fazzio
Physical review letters 91 (16), 166802, 2003
66 2003 Biomimicking vitamin B12. A Co phthalocyanine pyridine axial ligand coordinated catalyst for the oxygen reduction reaction J Riquelme, K Neira, JF Marco, P Hermosilla-Ibáñez, W Orellana, ...
Electrochimica Acta 265, 547-555, 2018
63 2018 In search of the most active MN4 catalyst for the oxygen reduction reaction. The case of perfluorinated Fe phthalocyanine G Abarca, M Viera, C Aliaga, JF Marco, W Orellana, JH Zagal, F Tasca
Journal of Materials Chemistry A 7 (43), 24776-24783, 2019
57 2019 W Orellana, AJR da Silva, A Fazzio
Physical review letters 87 (15), 155901, 2001
51 2001 Oxygen reduction reaction at penta-coordinated Co phthalocyanines M Viera, J Riquelme, C Aliaga, JF Marco, W Orellana, JH Zagal, F Tasca
Frontiers in Chemistry 8, 22, 2020
48 2020 Oxidation at the W Orellana, AJR Da Silva, A Fazzio
Physical review letters 90 (1), 016103, 2003
47 2003 Alternative search strategy for minimal energy nanocluster structures: The case of rhodium, palladium, and silver J Rogan, G García, C Loyola, W Orellana, R Ramírez, M Kiwi
The Journal of chemical physics 125 (21), 2006
46 2006 Diffusion-reaction mechanisms of nitriding species in W Orellana, AJR Da Silva, A Fazzio
Physical Review B—Condensed Matter and Materials Physics 70 (12), 125206, 2004
46 2004 Energetics of carbon and oxygen impurities and their interaction with vacancies in cubic boron nitride W Orellana, H Chacham
Physical Review B 62 (15), 10135, 2000
46 2000 Substrate-dependent electronic properties of an armchair carbon nanotube adsorbed on H∕ Si (001) RH Miwa, W Orellana, A Fazzio
Applied Physics Letters 86 (21), 2005
44 2005 Atomic geometry and energetics of vacancies and antisites in cubic boron nitride W Orellana, H Chacham
Applied physics letters 74 (20), 2984-2986, 1999
44 1999 Hydrogen storage on cation-decorated biphenylene carbon and nitrogenated holey graphene R Guerrero-Avilés, W Orellana
International Journal of Hydrogen Energy 43 (51), 22966-22975, 2018
40 2018 Optical response of carbon nanotubes functionalized with (free-base, Zn) porphyrins, and phthalocyanines: A DFT study JD Correa, W Orellana
Physical Review B—Condensed Matter and Materials Physics 86 (12), 125417, 2012
40 2012 
Adalberto FazzioDirector, Brazilian Nanotechnology National Laboratory (LNNano/CNPEM)Verified email at lnnano.cnpem.br
