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ResearcherID: G-4329-2011

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Employment (4)

Universidad de Puerto Rico en Cayey: Cayey, PR

2018-08-01 to present | Associate Professor (Chemistry)
Employment
Source: Self-asserted source
Juan A. Santana

Oak Ridge National Laboratory: Oak Ridge, TN, US

2013-02-07 to 2015-06-31 | Postdoctoral research (Materials Science and Technology Division)
Employment
Source: Self-asserted source
Juan A. Santana

University of California Berkeley: Berkeley, CA, US

2012-08-01 to 2013-01-31 | Associated Specialist (Space Sciences Laboratory)
Employment
Source: Self-asserted source
Juan A. Santana

Technische Universität München: Munchen, Bayern, DE

2010-10-01 to 2012-06-31 | A. v Humboldt Postdoctoral Researcher (Chemistry)
Employment
Source: Self-asserted source
Juan A. Santana

Education and qualifications (2)

University of Puerto Rico in Rio Piedras: San Juan, PR

2005-08-01 to 2010-08-09 | Ph.D. (Chemistry)
Education
Source: Self-asserted source
Juan A. Santana

Universidad del Sagrado Corazon: San Juan, PR

2001-06-01 to 2005-06-31 | B.S (Chemistry)
Education
Source: Self-asserted source
Juan A. Santana

Works (44)

Octahedral and Tetrahedral Coordination Influences the Ordering of Oxygen Vacancy Channels in SrCoO2.5 and SrFeO2.5 Thin Films

Chemistry of Materials
2024-12-24 | Journal article
DOI: 10.1021/acs.chemmater.4c02081
Contributors: Juan A. Santana; David Bugallo; Andrew Mirea; Tessa D. Tucker; David Alfredo Gonzalez-Narvaez; Alejandra Rosario-Crespo; Yalexander Sanchez-Navarro; Gabriela Marrero-Hernandez; Kevin Rosa-Dieppa; Andrea Garcia-Ramos et al.
Source: check_circle
Crossref

Density Functional Calculations of the Sequential Adsorption of Hydrogen on Single Atom and Small Clusters of Pd and Pt Supported on Au(111)

Electrocatalysis
2023-03 | Journal article
DOI: 10.1007/s12678-022-00802-x
Contributors: Joshua Meléndez-Rivera; Juan A. Santana
Source: check_circle
Crossref

Simulation of metal-supported metal-Nanoislands: A comparison of DFT methods

Surface Science
2021-10 | Journal article
DOI: 10.1016/j.susc.2021.121889
Contributors: Gabriel A. Vázquez-Lizardi; Louis A. Ruiz-Casanova; Ricardo M. Cruz-Sánchez; Juan A. Santana
Source: check_circle
Crossref

Hydrogen Adsorption on Au-Supported Pt and Pd Nanoislands: A Computational Study of Hydrogen Coverage Effects

The Journal of Physical Chemistry C
2021-03-11 | Journal article
DOI: 10.1021/acs.jpcc.0c11566
Contributors: Juan A. Santana; Joshua Meléndez-Rivera
Source: check_circle
Crossref

DFT Calculations of the Adsorption States of O2 on OH/H2O-Covered Pt(111)

Electrocatalysis
2020-11-15 | Journal article
DOI: 10.1007/s12678-020-00619-6
Contributors: Juan A. Santana
Source: check_circle
Crossref

DFT and thermodynamics calculations of surface cation release in LiCoO2

Applied Surface Science
2020-06 | Journal article
DOI: 10.1016/j.apsusc.2020.145865
Contributors: Ali Abbaspour-Tamijani; Joseph W. Bennett; Diamond T. Jones; Natalia Cartagena-Gonzalez; Zachary R. Jones; Elizabeth D. Laudadio; Robert J. Hamers; Juan A. Santana; Sara E. Mason
Source: check_circle
Crossref

Strain and Low-Coordination Effects on Monolayer Nanoislands of Pd and Pt on Au(111): A Comparative Analysis Based on Density Functional Results

The Journal of Physical Chemistry C
2020-06-18 | Journal article
DOI: 10.1021/acs.jpcc.0c03151
Contributors: Juan A. Santana; Bryan Cruz; Joshua Melendez-Rivera; Notker Rösch
Source: check_circle
Crossref

Linear correlation models for the redox potential of organic molecules in aqueous solutions

Journal of Molecular Modeling
2020-04 | Journal article
DOI: 10.1007/s00894-020-4331-x
Contributors: Jessica C. Ortiz-Rodríguez; Juan A. Santana; Dalvin D. Méndez-Hernández
Source: check_circle
Crossref

Relativistic MR-MP Energy Levels for K-like Fe

The Astrophysical Journal Supplement Series
2020-04-01 | Journal article
DOI: 10.3847/1538-4365/ab76c7
Contributors: Juan A. Santana; Yasuyuki Ishikawa; Peter Beiersdorfer
Source: check_circle
Crossref

DFT Calculations of the Electrochemical Adsorption of Sulfuric Acid Anions on the Pt(110) and Pt(100) Surfaces

Electrocatalysis
2020-01-14 | Journal article
DOI: 10.1007/s12678-019-00574-x
Contributors: Juan A. Santana; Yasuyuki Ishikawa
Source: check_circle
Crossref

Electron Confinement and Magnetism of (LaTiO3)1/(SrTiO3)5 Heterostructure: A Diffusion Quantum Monte Carlo Study

Journal of Chemical Theory and Computation
2020-01-14 | Journal article
DOI: 10.1021/acs.jctc.9b00678
Contributors: Juan A. Santana; Jaron T. Krogel; Satoshi Okamoto; Fernando A. Reboredo
Source: check_circle
Crossref

Relativistic MR-MP Energy Levels for L-shell Ions of Iron

The Astrophysical Journal Supplement Series
2019-11-01 | Journal article
DOI: 10.3847/1538-4365/ab4c3d
Contributors: Juan A. Santana; Edgardo L. Peña-Cotto; Emmanuel J. Morales Butler; Peter Beiersdorfer; Gregory V. Brown
Source: check_circle
Crossref

Adsorption and diffusion of sulfur on the (111), (100), (110), and (211) surfaces of FCC metals: Density functional theory calculations

The Journal of Chemical Physics
2018-11-28 | Journal article
DOI: 10.1063/1.5063464
Contributors: Christopher R. Bernard Rodríguez; Juan A. Santana
Source: check_circle
Crossref

Relativistic MR-MP Energy Levels for L-shell Ions of Sulfur and Argon

The Astrophysical Journal Supplement Series
2018-10-01 | Journal article
DOI: 10.3847/1538-4365/aae14e
Contributors: Juan A. Santana; Nahyr A. Lopez-Dauphin; Emmanuel J. Morales Butler; Peter Beiersdorfer
Source: check_circle
Crossref

Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene

The Journal of Chemical Physics
2018-06-07 | Journal article
DOI: 10.1063/1.5026120
Contributors: Yelda Kadioglu; Juan A. Santana; H. Duygu Özaydin; Fatih Ersan; O. Üzengi Aktürk; Ethem Aktürk; Fernando A. Reboredo
Source: check_circle
Crossref

Relativistic MR–MP Energy Levels for L-shell Ions of Silicon

The Astrophysical Journal Supplement Series
2018-01-01 | Journal article
DOI: 10.3847/1538-4365/aa94d2
Contributors: Juan A. Santana; Nahyr A. Lopez-Dauphin; Peter Beiersdorfer
Source: check_circle
Crossref

Quantum Many-Body Effects in Defective Transition-Metal-Oxide Superlattices

Journal of Chemical Theory and Computation
2017-11-14 | Journal article
DOI: 10.1021/acs.jctc.7b00483
Contributors: Juan A. Santana; Rohan Mishra; Jaron T. Krogel; Albina Y. Borisevich; Paul R. C. Kent; Sokrates T. Pantelides; Fernando A. Reboredo
Source: check_circle
Crossref

Diffusion quantum Monte Carlo calculations of SrFeO3 and LaFeO3

The Journal of Chemical Physics
2017-07-21 | Journal article
DOI: 10.1063/1.4994083
Contributors: Juan A. Santana; Jaron T. Krogel; Paul R. C. Kent; Fernando A. Reboredo
Source: check_circle
Crossref

Relativistic MR-MP energy levels: Low-lying states in the Mg isoelectronic sequence

Atomic Data and Nuclear Data Tables
2016-09 | Journal article
DOI: 10.1016/j.adt.2015.12.004
Contributors: Juan A. Santana
Source: check_circle
Crossref

Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo

The Journal of Chemical Physics
2016-05-07 | Journal article
DOI: 10.1063/1.4947569
Contributors: Juan A. Santana; Jaron T. Krogel; Paul R. C. Kent; Fernando A. Reboredo
Source: check_circle
Crossref

Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO

The Journal of Chemical Physics
2015-10-28 | Journal article
DOI: 10.1063/1.4934262
Contributors: Chandrima Mitra; Jaron T. Krogel; Juan A. Santana; Fernando A. Reboredo
Source: check_circle
Crossref

Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo

The Journal of Chemical Physics
2015-04-28 | Journal article
DOI: 10.1063/1.4919242
Contributors: Juan A. Santana; Jaron T. Krogel; Jeongnim Kim; Paul R. C. Kent; Fernando A. Reboredo
Source: check_circle
Crossref

A combined experimental and theoretical study of gas sorption on nanoporous silver triazolato metal-organic frameworks

Microporous and Mesoporous Materials
2014 | Journal article
DOI:

10.1016/j.micromeso.2013.09.006

Part of ISSN:

1387-1811; 1873-3093
Contributors: Yang, Guang; Santana, Juan A.; Rivera-Ramos, Milton E.; Garcia-Ricard, Omar; Saavedra-Arias, Jose J.; Ishikawa, Yasuyuki; Hernandez-Maldonado, Arturo J.; Raptis, Raphael G.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Relativistic MR-MP calculations of the energy levels and transition probabilities in Ni- to Kr-like Pt ions

Atomic Data and Nuclear Data Tables
2014 | Journal article
DOI:

10.1016/j.adt.2013.05.001

Part of ISSN:

0092-640X; 1090-2090
Contributors: Santana, Juan A.; Ishikawa, Yasuyuki; Traebert, Elmar
Source: Self-asserted source
Juan A. Santana via ResearcherID

Selective CO2 Adsorption on Metal-Organic Frameworks Based on Trinuclear Cu-3-Pyrazolato Complexes: An Experimental and Computational Study

Crystal Growth & Design
2013 | Journal article
DOI:

10.1021/cg400382k

Part of ISSN:

1528-7483
Contributors: Mathivathanan, Logesh; Torres-King, Jorge; Primera-Pedrozo, Jose N.; Garcia-Ricard, Omar J.; Hernandez-Maldonado, Arturo J.; Santana, Juan A.; Raptis, Raphael G.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Hydrogen adsorption on and spillover from Au- and Cu-supported Pt-3 and Pd-3 clusters: a density functional study

Physical Chemistry Chemical Physics
2012 | Journal article
DOI:

10.1039/c2cp43080k

Part of ISSN:

1463-9076
Contributors: Santana, Juan A.; Roesch, Notker
Source: Self-asserted source
Juan A. Santana via ResearcherID

Isoelectronic trends of the E1-forbidden decay rates of Al-, Si-, P-, and S-like ions of Cl, Ti, Mn, Cu, and Ge

Journal of Physics B-Atomic Molecular and Optical Physics
2012 | Journal article
DOI:

10.1088/0953-4075/45/21/215003

Part of ISSN:

0953-4075
Contributors: Traebert, Elmar; Grieser, Manfred; Krantz, Claude; Repnow, Roland; Wolf, Andreas; Diaz, Francisco J.; Ishikawa, Yasuyuki; Santana, Juan A.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Metal-Supported Metal Clusters: A Density Functional Study of Pt-3 and Pd-3

Journal of Physical Chemistry C
2012 | Journal article
DOI:

10.1021/jp301227e

Part of ISSN:

1932-7447
Contributors: Santana, Juan A.; Roesch, Notker
Source: Self-asserted source
Juan A. Santana via ResearcherID

Density-functional theory study of the reaction pathway for methanol demethanation on Ni(n)(+) (n=3,4)

Chemical Physics Letters
2011 | Journal article
DOI:

10.1016/j.cplett.2011.03.063

Part of ISSN:

0009-2614
Contributors: Santana, J. A.; Lopez-Encarnacion, J. M.; Ishikawa, Y.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Measurements and calculations of Zn-like heavy ions: an update

Canadian Journal of Physics
2011 | Journal article
DOI:

10.1139/p10-116

Part of ISSN:

0008-4204
Contributors: Trabert, E.; Clementson, J.; Beiersdorfer, P.; Santana, J. A.; Ishikawa, Y.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Relativistic R-matrix close-coupling method based on the effective many-body Hamiltonian: electron-impact excitation of the 3s(2) (1)S(0)-3s3p(1)P(1)(0) electric dipole-allowed transition of the Ar(6+) ion

Canadian Journal of Physics
2011 | Journal article
DOI:

10.1139/p11-017

Part of ISSN:

0008-4204
Contributors: Santana, J. A.; Ishikawa, Y.
Source: Self-asserted source
Juan A. Santana via ResearcherID

The 3s(2)3p3d (3)F(o) term in the Si-like spectrum of Fe (Fe XIII)

Canadian Journal of Physics
2011 | Journal article
DOI:

10.1139/p11-007

Part of ISSN:

0008-4204
Contributors: Trabert, E.; Ishikawa, Y.; Santana, J. A.; Del Zanna, G.
Source: Self-asserted source
Juan A. Santana via ResearcherID

A density-functional theory study of electrochemical adsorption of sulfuric acid anions on Pt(111)

Physical Chemistry Chemical Physics
2010 | Journal article
DOI:

10.1039/c000981d

Part of ISSN:

1463-9076
Contributors: Santana, J. A.; Cabrera, C. R.; Ishikawa, Y.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Electrochemical Hydrogen Oxidation on Pt(110): A Combined Direct Molecular Dynamics/Density Functional Theory Study

Journal of Physical Chemistry C
2010 | Journal article
DOI:

10.1021/jp909834q

Part of ISSN:

1932-7447
Contributors: Santana, J. A.; Mateo, J. J.; Ishikawa, Y.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Extreme-ultraviolet spectra of highly charged Pt ions with several valence-shell electrons: Observation and accurate calculations

Physical Review A
2010 | Journal article
DOI:

062519 10.1103/PhysRevA.82.062519

Part of ISSN:

1050-2947
Contributors: Trabert, E.; Clementson, J.; Beiersdorfer, P.; Santana, J. A.; Ishikawa, Y.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Interactions between interfacial water and CO adsorbed on Pt and Pt-Ru alloy surfaces under electrochemical conditions: Density-functional theory study

Electrochimica Acta
2010 | Journal article
DOI:

10.1016/j.electacta.2010.09.074

Part of ISSN:

0013-4686
Contributors: Santana, J. A.; Ishikawa, Y.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Relativistic multireference many-body perturbation theory for open-shell ions with multiple valence shell electrons: the transition rates and lifetimes of the excited levels in chlorinelike Fe X

Journal of Physics B-Atomic Molecular and Optical Physics
2010 | Journal article
DOI:

074022 10.1088/0953-4075/43/7/074022

Part of ISSN:

0953-4075
Contributors: Ishikawa, Y.; Santana, J. A.; Trabert, E.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Relativistic R-matrix close-coupling method based on the effective many-body Hamiltonian: electron-impact excitation of electric dipole-allowed and spin-forbidden transitions of the S(4+) ion

Journal of Physics B-Atomic Molecular and Optical Physics
2010 | Journal article
DOI:

074030 10.1088/0953-4075/43/7/074030

Part of ISSN:

0953-4075
Contributors: Santana, J. A.; Ishikawa, Y.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Separation of CO(2) from light gas mixtures using nanoporous silicoaluminophosphate sorbents: Effect of multiple-step ion exchange and adsorption mechanism via computational studies

Microporous and Mesoporous Materials
2010 | Journal article
DOI:

10.1016/j.micromeso.2009.10.025

Part of ISSN:

1387-1811
Contributors: Arevalo-Hidalgo, A. G.; Santana, J. A.; Fu, R. Q.; Ishikawa, Y.; Hernandez-Maldonado, A. J.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Separation of CO2 from light gas mixtures using nanoporous silicoaluminophosphate sorbents

Abstracts of Papers of the American Chemical Society
2010 | Journal article
Part of ISSN:

0065-7727
Contributors: Arevalo-Hidalgo, Ana G.; Santana, Juan A.; Fu, Riqiang; Ishikawa, Yasuyuki; Hernandez-Maldonado, Arturo J.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Atomic lifetime measurements on forbidden transitions of Al-, Si-, P- and S-like ions at a heavy-ion storage ring

Journal of Physics B-Atomic Molecular and Optical Physics
2009 | Journal article
DOI:

025002 10.1088/0953-4075/42/2/025002

Part of ISSN:

0953-4075
Contributors: Trabert, E.; Hoffmann, J.; Krantz, C.; Wolf, A.; Ishikawa, Y.; Santana, J. A.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Density-functional theory study of interactions between water and carbon monoxide adsorbed on platinum under electrochemical conditions

Chemical Physics Letters
2009 | Journal article
DOI:

10.1016/j.cplett.2009.07.016

Part of ISSN:

0009-2614
Contributors: Santana, J. A.; Ishikawa, Y.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Effective Collision Strengths for Electron-Impact Excitation of Transitions Within the Ground 1s(2)2s(2)2p(4) Manifold of O-like Fe(18+)

International Journal of Quantum Chemistry
2009 | Journal article
DOI:

10.1002/qua.22023

Part of ISSN:

0020-7608
Contributors: Santana, J. A.; Ishikawa, Y.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Multireference Moller-Plesset perturbation theory results on levels and transition rates in Al-like ions of iron group elements

Physica Scripta
2009 | Journal article
DOI:

065301 10.1088/0031-8949/79/06/065301

Part of ISSN:

0031-8949
Contributors: Santana, J. A.; Ishikawa, Y.; Trabert, E.
Source: Self-asserted source
Juan A. Santana via ResearcherID

Peer review (9 reviews for 4 publications/grants)

Review activity for ACS applied nano materials. (1)
Review activity for Journal of physical chemistry. (6)
Review activity for Langmuir : (1)
Review activity for Nature communications (1)
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