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Walter Manuel Orellana Muñoz

Associate Professor

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Condensed Matter Physics. Computational Material Science. Electronic structure calculations of solids, surfaces & nanostructures. Ab Initio molecular dynamics simulations. Heterogeneous catalysis & kinetics. Advanced photovoltaic materials.

BS in Physics, UNIVERSIDAD DE CHILE. Chile, 1989
MS in Physics, UNIVERSITY OF SAO PAULO. Brasil, 1992
PhD in Physics, UNIVERSITY OF SAO PAULO. Brasil, 1997

Adjunct Professor Part Time

UNIVERSITY OF SAO PAULO

Physics Institute

Sao Paulo, Brasil

1995 - 1996
Adjunct Professor Part Time

FEDERAL UNIVERSITY OF MINAS GERAIS

Exact Sciences Institute

Belo Horizonte, Brasil

1998 - 1999
Profesor Honorarios Part Time

UNIVERSIDAD DE CHILE

Faculty of Science

Santiago, Chile

2006 - 2007
Associate Professor Full Time

UNIVERSIDAD ANDRES BELLO

Exact Sciences

Santiago, Chile

2007 - At present

Postdoctoral Researcher Full Time

FEDERAL UNIVERSITY OF MINAS GERAIS

Belo Horizonte, Brasil

1998 - 1999
Postdoctoral Researcher Full Time

UNIVERSITY OF SAO PAULO

Sao Paulo, Brasil

2000 - 2004
Postdoctoral Researcher Full Time

UNIVERSIDAD DE CHILE

Santiago, Chile

2005 - 2006
Director Master Program in Physical Sciences Full Time

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

2009 - 2017
Director PhD Program in Physical Sciences Full Time

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

2018 - At present

I. THESIS ADVISOR

(3) Raúl Gerrero Avilés, Hydrogen storage on cation-decorated biphenylene carbon and nitrogenated holey graphene. MS Thesis in Physics, UNAB, 2017
(2) Pía Vásquez Rivera, Porphyrin- and Phthalocyanine-based polymeric nanostructures for photovoltaic applications. Engineering Physics Thesis, UNAB, 2016
(1) Raúl Gerrero Avilés, Water desalination through nanoporous graphene: First-principles molecular dynamic simulations. Engineering Physics Thesis, UNAB, 2015

II. POSTDOC ADVISOR

(1) Dr. Julián Correa Abad, 1D Hybrid Nanostructures as New Candidates for Photovoltaic Systems. Fellowship from FONDECYT-Chile, 2010-2013

I. IDENTIFIERS

(3) WOS ResearcherID F-2068-2014 (https://publons.com/researcher/2534054)
(2) ORCiD 0000-0002-6897-3875 (https://orcid.org/0000-0002-6897-3875)
(1) SCOPUS Author ID: 6701747167 (https://www.scopus.com/authid/detail.uri?authorId=6701747167)

II. LECTURER OF SHORT COURSES

(4) Nanociencia y Nanotecnología: Aportes de la Ciencia de Materiales Computacional. Facultad de Ingeniería, Universidad Diego Portales, 2010.
(3) Teoría y Modelación en Nanociencia para Catálisis y Conversión de Energía, Departamento de Ciencias Básicas. Universidad de Medellín, Medellín Colombia, 2013.
(2) Curso Práctico de Estado Sólido Usando Quantum Espresso, Departamento de Química, Universidad Autónoma Metropolitana (Iztapalapa), México DF, 2013.
(1) First Latin American School on Computational Materials Science held at the Universidad Andrés Bello, 2009. http://indico.ictp.it/event/a08192/

III. PRESENTATIONS AT INTERNATIONAL CONFERENCES

(33) 33rd Topical Meeting of the International Society of Electrochemistry (Keynote Speaker), 27-30 November, Chile,2022
(32) XX Brazil Material Research Society Meeting, 24-29 September, Foz do Iguaçu, Brazil, 2022
(31) 9th International Conference on Low-Dimensional Structures and Devices, Puerto Varas, Chile, 2019
(30) XVIII Brazil Material Research Society Meeting, Camboriú, Brazil, 2019
(29) XVII Brazil Material Research Society Meeting, Natal, Brazil, 2018
(28) 34th European Conference in Surface Science, Aarhus, Denmark, 2018
(27) XXIII Latin American Symposium on Solid State Physics, Bariloche, Argentina, 2018
(26) American Physical Society March Meeting, Los Angeles, USA, 2018
(25) EMN Meeting: 2D Materials, Lyon, France (Invited speaker), 2017
(24) American Physical Society March Meeting, New Orleans, USA, 2017
(23) 2nd Latin-American Workshop on Carbon Materials, Termas de Chillán, Chile, 2016
(22) 1st International Conference on Terahertz Emission, Metamaterials, and Nanophotonics, Cartagena, Colombia (Plenary talk), 2016
(21) American Physical Society March Meeting, Baltimore, USA, 2016
(20) 31st European Conference in Surface Science, Barcelona, España, 2015
(19) 23rd International Material Research Congress, Cancún, México, 2014
(18) 6to Congreso Intl. de Formación y Modelación en Cs. Básicas, Medellín, Colombia (Invited speaker), 2014
(17) 5to Congreso Intl. de Formación y Modelación en Cs. Básicas, Medellín, Colombia (Plenary talk), 2013
(16) 31st International Conference on the Physics of Semiconductors, Zurich, Switzerland, 2012
(15) XI Brazil Material Research Society Meeting, Florianópolis, Brasil, 2012
(14) X Brazil Material Research Society Meeting, Gramado, Brasil, 2011
(13) 4th Workshop on Novel Methods for Electronic Structure Calculations and 1st South-American Congress on Materials, La Plata, Argentina (Invited speaker), 2011
(12) American Physical Society March Meeting, Portland, USA, 2010
(11) 11th International Conference on Advanced Materials, Rio de Janeiro, Brazil (Invited speaker), 2009
(10) 17th International Material Research Congress, Cancún, México (Invited speaker), 2008
(9) American Physical Society March Meeting, New Orleans, USA, 2008
(8) 29th International Conference on the Physics of Semiconductors, Rio de Janeiro, Brazil, 2008
(7) 13th Brazilian Workshop on Semiconductor Physics, Sao Paulo, Brazil, 2007
(6) 28th International Conference on the Physics of Semiconductors, Vienna, Austria, 2006
(5) 12th Latin American Congress of Surface Science and its Applications, Angra dos Reis, Brazil, 2005
(4) 23rd European Conference of Surface Science, Berlin, Germany, 2005
(3) International Conference on Superlattice, Nanostructures and Nanodevices, Cancún, Mexico, 2004
(2) 22nd European Conference of Surface Science. Prague, Czech Republic, 2003
(1) 26th International Conference on the Physics of Semiconductors, Edinburgh, UK, 2002

PhD Scholarship

BRAZILIAN NATIONAL COUNCIL FOR SCIENTIFIC AND TECHNOLOGICAL DEVELOPMENT (CNPq)

Brasil, 1992

Four-year doctoral scholarship
Postdoctoral Fellowship

MINAS GERAIS RESEARCH FOUNDATION

Brasil, 1998

Two-years postdoctoral fellowship
Postdoctoral Fellowship

SAO PAULO RESEARCH FOUNDATION

Brasil, 2000

Four-years postdoctoral fellowship
Postdoctoral Fellowship

INICIATIVA CIENTIFICA MILENIO

Chile, 2005

Two-years postdoctoral fellowship
MS Scholarship

BRAZILIAN NATIONAL COUNCIL FOR SCIENTIFIC AND TECHNOLOGICAL DEVELOPMENT (CNPq)

Brasil, 1990

Two-years master scholarship


Planar Elongated B-12 Structure in M3B12 Clusters (M = Cu-Au) Solar-Encinas, Jose; Vasquez-Espinal, Alejandro; Leyva-Parra, Luis; Yanez, Osvaldo; Inostroza, Diego; Valenzuela, Maria Luisa; Orellana, Walter; Tiznado, William Article ISI MOLECULES (2023)
Si-5-pentagonal rings and Y-shaped Si-4 building blocks in Li32Si18 system: similarities with the crystalline Zintl phase Li12Si7 Yanez, Osvaldo; Inostroza, Diego; Leyva-Parra, Luis; Solar-Encinas, Jose; Cesar Cruz, J.; Garza, Jorge; Vasquez-Espinal, Alejandro; Pino-Rios, Ricardo; Orettana, Walter; Tiznado, William Article ISI MOLECULAR SYSTEMS DESIGN ENGINEERING (2023)
Bowl-shaped CuB12- Cluster. A viable Global Minimum with Twofold Aromaticity Solar-Encinas, Jose; Leyva-Parra, Luis; Yanez, Osvaldo; Inostroza, Diego; Barrios-Llacuachaqui, Julio R.; Vasquez-Espinal, Alejandro; Orellana, Walter; Tiznado, William Article ISI CHEMPHYSCHEM (2022)
Effect of Electrolyte Media on the Catalysis of Fe Phthalocyanine toward the Oxygen Reduction Reaction: Ab Initio Molecular Dynamics Simulations and Experimental Analyses Orellana, Walter; Zuniga, Cesar; Gatica, Angelica; Ureta-Zanartu, Maria-Soledad; Zagal, Jose H.; Tasca, Federico Article ISI ACS CATALYSIS (2022)
Evidence of carbon-supported porphyrins pyrolyzed for the oxygen reduction reaction keeping integrity Orellana, Walter; Zuniga Loyola, Cesar; Marco, Jose F.; Tasca, Federico Article ISI SCIENTIFIC REPORTS (2022)
Cluster Assembled Silicon-Lithium Nanostructures: A Nanowire Confined Inside a Carbon Nanotube Orellana, Walter; Pino-Rios, Ricardo; Yanez, Osvaldo; Vasquez-Espinal, Alejandro; Peccati, Francesca; Contreras-Garcia, Julia; Cardenas, Carlos; Tiznado, William Article ISI FRONTIERS IN CHEMISTRY (2021)
D-pi-A dye attached on TiO2(101) and TiO2(001) surfaces: Electron transfer properties from ab initio calculations Orellana, Walter Article ISI, SCOPUS SOLAR ENERGY (2021)
Insights into the electronic structure of Fe penta-coordinated complexes. Spectroscopic examination and electrochemical analysis for the oxygen reduction and oxygen evolution reactions Zuniga Loyola, Cesar; Abarca, Gabriel; Ureta-Zanartu, Soledad; Aliaga, Carolina; Zagal, Jose H.; Sougrati, Moulay Tahar; Jaouen, Frederic; Orellana, Walter; Tasca, Federico Article ISI JOURNAL OF MATERIALS CHEMISTRY A (2021)
Oxygen reduction reaction on a 68-atom-gold cluster supported on carbon nanotubes: theoretical and experimental analysis Loyola, C.Z; Caro, A. G.; Govan, J.; Abarca, G.; Orellana, W.; Tasca, F. Article ISI, SCOPUS MATERIALS CHEMISTRY FRONTIERS (2021)
Electronic properties and topological phases of a two-dimensional allotrope of nitrogenated carbon Leon, A.; Orellana, W.; Suarez-Morell, E.; Pacheco, M. Article ISI, SCOPUS Physical Review B (2020)
Inducing a level inside of CdTe bandgap doping with Sn using a co-sublimation technique by CSS Rios-Gonzalez, J.A.; Mis-Fernandez, R.; Camacho-Espinoza, E.; Riech, I.; Menendez-Proupin, E.; Flores, M.A.; Orellana, W.; Pena, J.L. Article ISI, SCOPUS MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2020)
Influence of cyano substituents on the electron density and catalytic activity towards the oxygen reduction reaction for iron phthalocyanine. The case for Fe(II) 2,3,9,10,16,17,23,24-octa(cyano)phthalocyanine Govan, J.; Abarca, G.; Aliaga, C.; Sanhueza, B.; Orellana, W.; Cardenas-Jiron, G.; Zagal, J. H.; Tasca, F. Article ISI, SCOPUS ELECTROCHEMISTRY COMMUNICATIONS (2020)
Oxygen Reduction Reaction at Penta-Coordinated Co Phthalocyanines Viera, M.; Riquelme, J.; Aliaga, C.; Marco, J. F.; Orellana, W.; Zagal, J. H.; Tasca, F. Article ISI, SCOPUS FRONTIERS IN CHEMISTRY (2020)
Penta-coordinated transition metal macrocycles as electrocatalysts for the oxygen reduction reaction Govan, Joseph; Orellana, Walter; Zagal, José H.; Tasca, Federico Article ISI, SCOPUS JOURNAL OF SOLID STATE ELECTROCHEMISTRY (2020)
Energetics and Electronic Properties of Interstitial Chlorine in CdTe Orellana, W.; Menendez-Proupin, E.; Flores, M. A.. Article ISI, SCOPUS PHYSICA STATUS SOLIDI B-BASIC RESEARCH (2019)
In search of the most active MN4 catalyst for the oxygen reduction reaction. The case of perfluorinated Fe phthalocyanine Abarca, G.; Viera, M.; Aliaga, C.; Marco, J. F.; Orellana, W.; Zagal, J. H.; Tasca, F. Article ISI, SCOPUS JOURNAL OF MATERIALS CHEMISTRY A (2019)
Self-compensation in chlorine-doped CdTe Orellana, Walter; Menendez-Proupin, Eduardo; Flores, Mauricio A. Article ISI, SCOPUS SCIENTIFIC REPORTS (2019)
Symmetry and thermodynamics of tellurium vacancies in cadmium telluride Menendez-Proupin, E.; Casanova-Perez, M.; Montero-Alejo, A. L.; Flores, M. A.; Orellana, W. Article ISI, SCOPUS PHYSICA B-CONDENSED MATTER (2019)
(Invited) Climbing over the Activity Volcano Correlation by Biomimicking Vitamin B12: A Co Phthalocyanine Pyridine Axial Ligand Coordinated Catalyst for the Reduction of Molecular Oxygen Riquelme, Jorge; Neira, Karinna; Marco, Jose F.; Hermosilla, Patricio; Venegas, Diego; Orellana, Walter; Ponce, Ingrid; Zagal, Jose H; Tasca, Federico Article SCOPUS SOLID OXIDE FUEL CELLS 15 (SOFC-XV) (2018)
(Li6Si5)(2-5): The Smallest Cluster-Assembled Materials Based on Aromatic Si-5(6-) Rings Yanez, O.; Garcia, V.; Garza, J.; Orellana, W.; Vasquez-Espinel, A.; Tiznado, W. Article ISI, SCOPUS Chemistry – A European Journal (2018)
Accuracy of the Heyd-Scuseria-Ernzerhof hybrid functional to describe many-electron interactions and charge localization in semiconductors Flores, M. A.; Orellana, W.; Menendez-Proupin, E. Article ISI, SCOPUS PHYSICAL REVIEW B (2018)
Biomimicking vitamin B12. A Co phthalocyanine pyridine axial ligand coordinated catalyst for the oxygen reduction reaction Riquelme, J.; Neira, K.; Marco, J. F.; Mermosilla-Ibanez, P.; Orellana, W.; Zagal, J. H.; Tasca, F. Article ISI, SCOPUS ELECTROCHIMICA ACTA (2018)
Hydrogen storage on cation-decorated biphenylene carbon and nitrogenated holey graphene Guerrero-Aviles, Raul; Orellana, Walter Article ISI, SCOPUS INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2018)
Energetics and diffusion of liquid water and hydrated ions through nanopores in graphene: ab initio molecular dynamics simulation Guerrero-Aviles, Raul; Orellana, Walter Article ISI, SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Self-compensation in phosphorus-doped CdTe Flores, M. A.; Orellana, W.; Menendez-Proupin, E. Article ISI, SCOPUS PHYSICAL REVIEW B (2017)
Sn-doped CdTe as promising intermediate-band photovoltaic material Flores, M. A.; Menendez-Proupin, E.; Orellana, W. Article ISI, SCOPUS JOURNAL OF PHYSICS D-APPLIED PHYSICS (2017)
First-principles DFT+GW study of oxygen-doped CdTe Flores, M. A.; Orellana, W.; Menendez-Proupin, E. Article ISI, SCOPUS PHYSICAL REVIEW B (2016)
First-principles DFT+GW study of the Te antisite in CdTe Flores, M. A.; Orellana, W.; Menendez-Proupin, E. Article ISI, SCOPUS COMPUTATIONAL MATERIALS SCIENCE (2016)
Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon Vasquez-Espinal, A.; Pino-Rios, R.; Fuentealba, P.; Orellana, W.; Tiznado, W. Article ISI, SCOPUS INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2016)
Theoretical study of intrinsic defects in CdTe Menendez-Proupin, Eduardo; Orellana, Walter Article SCOPUS XXIII INTERNATIONAL CONFERENCE ON INTEGRABLE SYSTEMS AND QUANTUM SYMMETRIES (ISQS-23) (2016)
Hydrogen-induced nanotunnel structure on the C-terminated beta-SiC(001)-c(2 x 2) surface investigated by ab-initio calculations Rosso, E. F.; Baierle, R. J.; Orellana, W.; Miwa, R. H. Article ISI, SCOPUS APPLIED SURFACE SCIENCE (2015)
Noncovalent functionalization of carbon nanotubes and graphene with tetraphenylporphyrins: stability and optical properties from ab initio calculations Orellana, Walter; Correa, Julian D. Article ISI, SCOPUS JOURNAL OF MATERIALS SCIENCE (2015)
Single- and double-wall carbon nanotubes fully covered with tetraphenylporphyrins: Stability and optoelectronic properties from ab initio calculations Orellana, Walter Article ISI, SCOPUS CHEMICAL PHYSICS LETTERS (2015)
Tellurium vacancy in cadmium telluride revisited: Size effects in the electronic properties Menendez-Proupin, Eduardo; Orellana, Walter Article ISI, SCOPUS PHYSICA STATUS SOLIDI B-BASIC RESEARCH (2015)
Strong pi-pi interaction of porphyrins on (6,5) carbon nanotubes with full surface coverage: Ab-initio calculations Orellana, Walter Article ISI, SCOPUS Applied Physics Letters (2014)
Catalytic Properties of Transition Metal-N-4 Moieties in Graphene for the Oxygen Reduction Reaction: Evidence of Spin-Dependent Mechanisms Orellana, Walter Article ISI, SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Light-harvesting efficiency of a (6,5) carbon nanotube functionalized with a free-base tetraphenylporphyrin: Density functional theory calculations Correa, Julian D.; Orellana, Walter Article ISI, SCOPUS JOURNAL OF APPLIED PHYSICS (2013)
Metal-phthalocyanine functionalized carbon nanotubes as catalyst for the oxygen reduction reaction: A theoretical study Orellana, Walter Article ISI, SCOPUS CHEMICAL PHYSICS LETTERS (2012)
Optical response of carbon nanotubes functionalized with (free-base, Zn) porphyrins, and phthalocyanines: A DFT study Correa, Julian D.; Orellana, Walter Article ISI, SCOPUS PHYSICAL REVIEW B (2012)
Catalytic activity toward oxygen reduction of transition metal porphyrins covalently linked to single-walled carbon nanotubes: A density functional study Orellana, Walter Article ISI, SCOPUS PHYSICAL REVIEW B (2011)
First-principles calculations of the thermal stability of Ti3SiC2(0001) surfaces Orellana, Walter; Gutierrez, Gonzalo Article ISI, SCOPUS SURFACE SCIENCE (2011)
Approximate quantum mechanical method for describing excitations and related properties of finite single-walled carbon nanotubes Montero-Alejo, A. L.; Fuentes, M. E.; Menendez-Proupin, E.; Orellana, W.; Bunge, C. F.; Montero, L. A.; Garcia de la Vega, J. M. Article ISI, SCOPUS PHYSICAL REVIEW B (2010)
Iron porphyrin attached to single-walled carbon nanotubes: Electronic and dynamical properties from ab initio calculations Ruiz-Tagle, I.; Orellana, Walter Article ISI, SCOPUS PHYSICAL REVIEW B (2010)
Reaction and incorporation of H-2 molecules inside single-wall carbon nanotubes through multivacancy defects Orellana, W. Article ISI SCOPUS PHYSICAL REVIEW B (2009)
Iron silicide wires patterned by Bi nanolines on the H/Si(001) surface: Spin density functional calculations Miwa, RH; Orellana, W.; Srivastava, GP Article ISI SCOPUS PHYSICAL REVIEW B (2008)
Stability and bonding properties of finite single-walled carbon nanotubes adsorbed on Si(001) Orellana, W. Article ISI SCOPUS APPLIED PHYSICS LETTERS (2008)
A theoretical study of Fe adsorption along Bi-nanolines on the H/Si(001) surface Miwa, RH; Orellana, W.; Srivastava, GP Article ISI SCOPUS APPLIED SURFACE SCIENCE (2007)
Magnetic properties of Pd atomic clusters from different theoretical approaches Aguilera-Granja, F; Vega A.; Rogan, J.; Orellana, W.; García, G. Article ISI SCOPUS EUROPEAN PHYSICAL JOURNAL D (2007)
Stability and electronic properties of vacancies and antisites in BC2N nanotubes Rossato, J; Baierle, RJ; Orellana, W. Article ISI SCOPUS PHYSICAL REVIEW B (2007)
Ab initio study of Ti3Si0.5Ge0.5C2 under pressure Orellana, W.; Gutierrez G.; Menendez-Proupin, E; Rogan, J.; García, G.; Manoun, B; Saxena S. Article ISI SCOPUS JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2006)
Alternative search strategy for minimal energy nanocluster structures: The case of rhodium, palladium, and silver Rogan, J.; García, G.; Loyola, C; Orellana, W.; Ramirez R.; Kiwi, M. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2006)
Endohedral terthiophene in zigzag carbon nanotubes: Density functional calculations Orellana, W.; VASQUEZ, SO Article ISI SCOPUS PHYSICAL REVIEW B (2006)
Fe adatoms along Bi nanolines on H/Si(001) Orellana, W.; Miwa, RH Article ISI SCOPUS APPLIED PHYSICS LETTERS (2006)
Structural, electronic and magnetic properties of vacancies in single-walled carbon nanotubes Orellana, W.; Fuentealba P. Article ISI SCOPUS SURFACE SCIENCE (2006)
Carbon nanotube adsorbed on hydrogenated Si(001) surfaces Miwa, RH; Orellana, W; Fazzio, A. Article ISI APPLIED SURFACE SCIENCE (2005)
Oxygen-induced atomic desorptions in oxynitrides: Density functional calculations Orellana, W.; da Silva, AJR; Fazzio, A. Article ISI SCOPUS PHYSICAL REVIEW B (2005)
Small Pd clusters: A comparison of phenomenological and ab initio approaches Rogan, J.; García, G.; Valdivia JA; Orellana, W.; Romero, AH; Ramirez R.; Kiwi, M. Article ISI SCOPUS PHYSICAL REVIEW B (2005)
Substrate-dependent electronic properties of an armchair carbon nanotube adsorbed on H/Si(001) Miwa, RH; Orellana, W.; Fazzio, A. Article ISI SCOPUS APPLIED PHYSICS LETTERS (2005)
Comparative study of defect energetics in HfO2 and SiO2 Scopel, WL; da Silva, AJR; Orellana, W; Fazzio, A. Article ISI APPLIED PHYSICS LETTERS (2004)
Diffusion-reaction mechanisms of nitriding species in SiO2 Orellana, W; da Silva, AJR; Fazzio, A. Article ISI PHYSICAL REVIEW B (2004)
Energetic of nitrogen incorporation reactions in SiO2 Orellana, W Article ISI APPLIED PHYSICS LETTERS (2004)
Stability and electronic properties of carbon nanotubes adsorbed on Si(001) Orellana, W; Miwa, RH; Fazzio, A. Article ISI SURFACE SCIENCE (2004)
First-principles calculations of carbon nanotubes adsorbed on Si(001) Orellana, W; Miwa, RH; Fazzio, A. Article ISI PHYSICAL REVIEW LETTERS (2003)
Oxidation at the Si/SiO2 interface: Influence of the spin degree of freedom Orellana, W; da Silva, AJR; Fazzio, A. Article ISI PHYSICAL REVIEW LETTERS (2003)
Theoretical and experimental studies of the atomic structure of oxygen-rich amorphous silicon oxynitride films Scopel, WL; da Silva, AJR; Orellana, W; Prado, RJ; Fantini, MCA; Fazzio, A.; Pereyra, I Article ISI PHYSICAL REVIEW B (2003)
Stability and electronic structure of hydrogen-nitrogen complexes in GaAs Orellana, W; Ferraz, AC Article ISI APPLIED PHYSICS LETTERS (2002)
Stacking fault effects in Mg-doped GaN Schmidt, TM; Miwa, RH; Orellana, W; Chacham, H Article ISI PHYSICAL REVIEW B (2002)
Ab initio study of substitutional nitrogen in GaAs Orellana, W; Ferraz, AC Article ISI APPLIED PHYSICS LETTERS (2001)
O2 Diffusion in SiO2: Triplet versus Singlet Orellana, W.; da Silva, A. J. R.; Fazzio, A. Article ISI, SCOPUS PHYSICAL REVIEW LETTERS (2001)
Stability of native defects in hexagonal and cubic boron nitride Orellana, W; Chacham, H Article ISI PHYSICAL REVIEW B (2001)
Energetics of carbon and oxygen impurities and their interaction with vacancies in cubic boron nitride Orellana, Walter; Chacham, Helio Article ISI, SCOPUS PHYSICAL REVIEW B (2000)
Structural properties and energetics of oxygen impurities in GaAs Orellana, W; Ferraz, AC Article ISI PHYSICAL REVIEW B (2000)
Atomic Geometry and Energetics of Native Defects in Cubic Boron Nitride Orellana, Walter; Chacham, Helio Article SCOPUS BRAZILIAN JOURNAL OF PHYSICS (1999)
Atomic geometry and energetics of vacancies and antisites in cubic boron nitride Orellana, W; Chacham, H Article ISI APPLIED PHYSICS LETTERS (1999)
First Principles Calculations of Substitutional Oxygen and Oxygen-Hydrogen Complexes in GaAs Orellana, Walter M.; Ferraz, A. C. Article SCOPUS BRAZILIAN JOURNAL OF PHYSICS (1997)
Electronic States of Copper-Related Impurities in Germanium Orellana, W. M.; Assali, L. V. C. Article SCOPUS BRAZILIAN JOURNAL OF PHYSICS (1994)
ELECTRONIC-STRUCTURE OF COPPER-RELATED DEFECTS IN GERMANIUM ORELLANA, WM; ASSALI, LVC; Heinrich, H; Jantsch, W Article ISI PRICM 5: THE FIFTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, PTS 1-5 (1994)


Electron transition energies of single-walled carbon nanotubes: Hartree - Fock's CNDOL approaches for describing excitations and related properties Montero A.L.; Fuentes, M. E.; MenÃ©ndez E.; Orellana, W.; Bunge C.; Montero, L. A.; De La Vega J.M.G. ConferencePaper SCOPUS Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational - Technical Proceedings of the 2010 NSTI Na (2010)


ELECTRONIC STRUCTURE MODULATION OF METAL-ORGANIC FRAMEWORKS FOR THE DESIGN OF FUNCTIONAL MATERIALS Orellana, Walter Proyecto (2023)
CATALYSTS FOR THE OXYGEN EVOLUTION REACTION IN Zn-AIR BATTERIES AND GREEN HYDROGEN PRODUCTION Tasca, Federico; Orellana, Walter Proyecto (2022)
FUNCTIONALIZED SURFACES FOR THE ENVIRONMENTAL DETECTION (FunSED) Soler, Monica; Orellana, Walter; Gracia, Francisco; Sandoval, Tania E.; Espinoza, Rodrigo; Jiménez, Claudio Proyecto (2021)
BIOMIMETIC CATALYSTS FOR THE OXYGEN REDUCTION REACTION Tasca, Federico; Orellana, Walter; Zagal, Jose H. Proyecto (2018)
METAL-ORGANIC 2D MATERIALS FOR CLEAN ENERGY CONVERSION=> FIRST-PRINCIPLES CALCULATIONS FONDECYT (1170480) Proyecto 2017-2021 Inv. Principal
INTEGRATION OF STRUCTURAL BIOLOGY TO THE DEVELOPMENT OF BIONANOTECHNOLOGY PIA (ACT1107) Proyecto 2013-2016 Inv. Principal
STUDY OF IMPURITIES, COMPLEX DEFECTS, AND GRAIN BOUNDARIES IN CDTE THIN FILMS USING COMPUTER SIMULATION AT THE ATOMIC SCALE FONDECYT (1130437) Proyecto 2013-2017 Coinvestigador(a)
NANOESTRUCTURAS HIBRIDAS 1D COMO NUEVOS CANDIDATOS PARA SISTEMAS FOTOVOLTAICOS FONDECYT (3110123) Proyecto 2010-2013 Inv. Patrocinante
MOLECULAR ENGINEERING AND SUPRAMOLECULAR CHEMISTRY FOR CATALYSIS, ELECTROCATALYSIS, REMEDIATION AND ENERGY CONVERSION Iniciativa Cinetífica Milenio (P07-006-F) Proyecto 2009-2010 Inv. Principal
THEORETICAL INVESTIGATION OF NANOSCALE CATALYSTS BASED ON METALLIC NANOPARTICLES AND METALLOMACROCYCLIC COMPLEXES FONDECYT (1090489) Proyecto 2009-2013 Inv. Responsable
COMPUTER SIMULATION LABORATORY OF NANOMATERIALS AND BIOLOGICAL SYSTEMS PIA (ACT24) Proyecto 2007-2010 Investigador(a)
THERMOPHYSICAL MODELING OF NOVEL MACHINABLE CERAMIC MATERIALS Air Force Office of Scientific Research (AFOSR) USA (FA9550-06-1-0540) Proyecto 2007-2010 Investigador(a)
SIMULACION COMPUTACIONAL MOLECULAR DE NANOMATERIALES Y SISTEMAS BIOLOGICOS DE INTERES EXPERIMENTAL Gutierrez Gallardo, Gonzalo; Orellana Muñoz, Walter Manuel; Menendez Proupin, Eduardo Ariel; Gonzalez Nilo, Fernando Danilo Proyecto (2006)
THE INTERACTION OF CARBON NANOTUBES WITH MOLECULES AND SOLIDS=> A THEORETICAL STUDY. FONDECYT (7060213) Proyecto 2006-2007 Inv. Responsable
THE INTERACTION OF CARBON NANOTUBES WITH MOLECULES AND SOLIDS=> A THEORETICAL STUDY. FONDECYT (1050197) Proyecto 2005-2009 Inv. Responsable