Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
Curriculum Vitae
Name
Rodrigo Queiroz de Albuquerque
Date of Birth
12/09/1976
Nationality
Brazilian
Marital Status
Married
Address
Visiting Researcher
Theoretical Physics IV
University of Bayreuth
95440 Bayreuth, Germany.
Tel: + 49 921 553229
E-mail: [email protected]
Assistant Professor
São Carlos Institute of Chemistry
University of São Paulo (USP)
Av. Trab. São Carlense 400
13560-970 São Carlos/SP, Brazil
Tel: +55 16 33738779
E-mail: [email protected]
Homepage:
www.labsuprachem.com
Academic Education
Professional
Experience
07/2000 - 07/2004
PhD in Physical Chemistry
Place: Federal University of Pernambuco,
Recife, Brazil.
Supervisor: Prof. Dr. Oscar L. Malta (Brazilian
Academy of Sciences)
Area: Theoretical Chemistry / Spectroscopy of
lanthanide complexes.
03/1998 - 03/2000
Master in Science (Physical Chemistry)
Place: Federal University of Pernambuco,
Recife, Brazil.
Supervisor: Prof. Dr. Oscar L. Malta (Brazilian
Academy of Sciences)
Area: Theoretical Chemistry / Spectroscopy of
lanthanide complexes
03/1994 - 01/1998
Bachelor in Science (Chemistry)
Place: Federal University of Rio Grande do
Norte, Natal, Brazil
01/2012 up to now
Assistant Professor
Place: São Carlos Institute of Chemistry
University of São Paulo, Brazil.
02/2009 - 12/2011
Postdoctoral Research
Place: Physics Department, Universität
Bayreuth, Germany.
Supervisors: Prof. Dr. Anna Köhler and Prof. Dr.
Stephan Kümmel.
Page 1 of 11
Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
Professional
Experience
Prizes / Awards
Area: Energy transfer in dimensionally
constrained supramolecular systems and MD
simulations of nanostructured systems
11/2008 - 12/2008
Postdoctoral Research
Place: Westfälische Wilhelms University
Münster and CeNTech, Deutschland.
Supervisor: Prof. Dr. Luisa de Cola
Area: Development of sensors with supramolecular host-guest systems
05/2007 – 10/2008
Alexander von Humboldt Fellowship
Place: Westfälische Wilhelms University
Münster and CeNTech, Deutschland.
Supervisor: Prof. Dr. Luisa de Cola
Area: Development of sensors with supramolecular host-guest systems
10/2004 - 4/2007
Postdoctoral Research
Place: Department of Chemistry and
Biochemistry, University of Bern, Switzerland.
Supervisor: Prof. Dr. Gion Calzaferri.
Area: Development of photonic antenna with
supramolecular host-guest systems.
03/2001 - 3/2003
Lecturer
Place: Department of Chemistry, Federal
University of Pernambuco, Recife, Brazil.
2009
VIP paper published in Angew. Chem. Int. Ed.
2007
Article in the cover page of Chem. Eur. J.
2007
Awarded with the Alexander von Humboldt
scholarship in Germany
2003
Prize of best presentation during the Brazilian
Conference on Theoretical Chemistry (SBQT) in
Caxambu, Brazil.
1997
Prize of best undergraduate student, Natal,
Brazil.
1995
Prize of best presentation during the CIENTEC
conference in Natal, Brazil.
Languages
Portuguese (Mother tongue)
Fluency in English (scored 277/300 TOEFL CBT test)
Fluency in German (scored 92/120 ZMT test, level C1)
Good knowledge of French
Ground knowledge of Italian and Spanish
Computational
Knowledge
Excellent knowledge of quantum chemistry programs, such as Gaussian,
Turbomole, Hyperchem, MOPAC, AMPAK. Development of interaction
potentials for new materials, scripts in Linux and algorithms in the
MATLAB package. Experience in Molecular Dynamics simulations of
large supramolecular polymeric systems and hybrid ceramic-nanoalloys
using the packages DL_POLY, LAMMPS and TINKER.
Page 2 of 11
Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
Extra Activities
Voluntary work for 2 years as a music teacher and regent of a children
chorus in a poor region of Recife, Brazil.
Hobbies
Playing the piano, playing tennis and swimming.
Granted Projects
(Currency information: 1 € = ca 3.3 R$ and 1 US$ = ca 2.4 R$)
9
Young Talents (CNPq, Brazilian Agency)
Project number: 400112/2014-0
Title: Functional molecular containers.
Authors: R.Q. Albuquerque (coordinator), Zsolt Csók (Fellow)
Time = 08/01/2014 to 07/31/2017
Amount granted: 60,000.00 R$ (research costs) + 238,000.00 R$ (fellowship of 34
months)
8
Regular Project (FAPESP, São Paulo State´s agency)
Project number: 2014/02071-5
Title: Theoretical Investigation of the aggregation of Ir(III) complexes with potential
application in OLEDs.
Authors: R.Q. Albuquerque (coordinator), Naidel Caturello
Time = 07/01/2014 to 06/30/2016
Amount granted: 34,008.31 R$ + 55,225.40 US$
7
Productivity Fellowship – Level II (CNPq, Brazilian agency)
Project number: 305082/2013-2
Title: Spectroscopic study of supramolecular systems and its application to the
decontamination of water
Authors: R.Q. Albuquerque (coordinator)
Time = 03/01/2014 to 02/28/2017
Amount granted: 39,600.00 R$ (fellowship of 36 months)
6
Special Visiting Researcher - PVE (CAPES, Brazilian agency)
Project number: A061_2013
Title: Influence of Metallophilic Interactions on Supramolecular Polymerization
Processes: Experimental and Theoretical Studies
Authors: R.Q. Albuquerque (coordinator), G. Fernandez
Time = 08/09/2013 to 08/08/2016
Amount granted: 81,500.00 R$ (research costs) + 126,000.00 R$ (PVE fellowship) +
15,600.00 € (two six-month PhD fellowships in Germany) + 98,400.00 R$ (two one-year
post-doc fellowships)
5
Regular Project (FAPESP, São Paulo State´s agency)
Project number: 2012/02955-5
Tittle: Spectroscopic study of supramolecular systems assembled from zeolite L
nanocrystals and their use in water decontamination with sunlight
Authors: R.Q. Albuquerque (coordinator)
Time: 07/01/2012 a 06/30/2014
Amount granted: 76,913.99 R$ + 55,794.91 US$
4
Pró-equipamentos 2012 (CAPES, Brazilian Agency)
Project number: 775441/2012
Title: Acquisition of a micro-spectrophotometer for the central of analysis of IQSC/USP
Authors: A.J. Motheo, E.T.G. Cavalheiro, F.N. Crespilho, U.P.R. Filho, E. Carrilho
(coordinator), R.Q. Albuquerque, D.R. Cardoso, L.C. Varanda
Amount granted: 120,000.00 R$
Page 3 of 11
Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
3
Support to new professors (USP, University of São Paulo)
Authors: R.Q. Albuquerque (coordinator)
Time: 2012-2013
Amount granted: 10,000.00 R$
2
Graduierten Kolleg (German Science Foundation)
Project number: GRK 1640
Title: Photophysics of Synthetic and Biological Multichromophoric Systems
Authors: J. Köhler (Coordinator), H.-W. Schmidt, S. Kümmel, P. Strohriegl, M. Thelakkat,
M. Ullmann, Anna Köhler, R. Cogdell, N. Hunter, R.Q. Albuquerque (young researcher),
R. Hildner (young researcher), M. Pärs (young researcher).
Time: 10/01/2010 to 03/31/2015
Amount granted: 2,613,496.00 €
Obs: After the project has been granted I left it to become assistant professor at the
University of São Paulo.
1
Alexander von Humboldt Fellowship (Humboldt Foundation, Germany)
Authors: R.Q. Albuquerque
Time: 05/01/2007 to 10/31/2008
Amount granted: 47,700.00 € (fellowship) + 14,400.00 € (research costs)
Teaching experience
3
Lectures on Physical Chemistry and General Chemistry have been given to
undergraduate and graduate students from the University of São Paulo at São Carlos
(Brazil) from January 2012 up to now (6 hours per week on average, 4 months per
semester). The following disciplines have been given: “Advanced Quantum Chemistry”,
“General Chemistry”, "Introduction to Molecular Modelling" and "Unit Operations".
Didactic material of some undergraduate and graduate courses is available at:
www.supramolecular.iqsc.usp.br/teaching
2
A course on molecular modelling was given for two semesters for graduate students in
the University of Bayreuth, Germany (16 hours). For more detailed information, see the
homepage:
http://www.multichromophores.uni-bayreuth.de/en/course_information/2011/index.php
1
Lectures on general chemistry were given for undergraduate students from the
Chemistry Department of the Federal University of Pernambuco, Brazil, from March 2001
to March 2003 (120 hours per semester x 4 semesters). Some disciplines also had an
experimental part.
Supervision of undergraduate and graduate students
4
Supervision carried out at the University of São Paulo, Brazil
- Milton T. Sonoda (Post-doc, 2015 - present)
- Zsolt Csók (Post-doc, 2014 - present)
- Tiago Almeida (Master Student, 2014 - present)
- Marina Oliveira (Master Student, 2014 - present)
- Janilson Lima Souza (PhD student, 2013 - present)
- Renan Camurça (Master student, 2013 - present)
- Loren Nieto Trujillo (Master Student, 2013 - present)
- Naidel Caturello (Master Student, 2013 - present)
- Renato Grigolon Capelo (Undergraduate Student, 2013 - present)
Page 4 of 11
Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
- Joacília de Souza (Undergraduate Student, 2014)
- Israel Rosalino (Undergraduate Student, 2013)
- Norka Lozano (Post-doc, 2012 - 2013)
- Vanessa Labriola (Undergraduate Student, 2012)
- Caio Joanoni (Undergraduate Student, 2012)
- Tomie Kuriyama (Undergraduate Student, 2012)
3
Co-supervision carried out at the University of Bayreuth, Germany:
- Sebastian T. Hoffmann (PhD student, 2009, supervisor: Prof. A. Koehler)
2
Co-supervision carried out at the University of Münster, Germany:
- Raquel Gomes (PhD Student, 2008, supervisor: Profs. F. Pina and L. De Cola)
- Henning Lülf (Undergrad. student, 2008, supervisor: Prof. L. De Cola)
- Antje Echterhoff (Undergrad. student, 2008, supervisor: Prof. L. De Cola)
1
Co-supervision carried out at the University of Berne, Switzerland:
- Christian Eyholzer (Undergrad. student, 2006, supervisor: Prof. G. Calzaferri)
- Lorenz Blum (Undergrad. student, 2005, supervisor: Prof. G. Calzaferri)
- Christa Bünzli (Undergrad. student, 2005, supervisor: Prof. G. Calzaferri)
- Leo-Philipp Heiniger (Undergrad. student, 2005, supervisor: Prof. G. Calzaferri)
- Ruben Mäder (Undergrad. student, 2005, supervisor: Prof. G. Calzaferri)
- Markus Gantenbein (Undergrad. student, 2007, supervisor: Prof. G. Calzaferri)
- Barbara Leder (Undergrad. student, 2007, supervisor: Prof. G. Calzaferri)
- Andreas Bünzli (Undergrad. student, 2007, supervisor: Prof. G. Calzaferri)
- Matthias Wasem (Undergrad. student, 2007, supervisor: Prof. G. Calzaferri)
List of the five most important publications
The asterisks indicate my participation as a corresponding author
5.
”Cooperative Supramolecular Polymerization driven by Metallophilic Pd-Pd Interactions”, M.J.
Mayoral, C. Rest, V. Stepanenko, J. Schellheimer, R.Q. Albuquerque*, G. Fernández,
J. Am. Chem. Soc. 135 (2013) 2148-2151.
4.
“Ni/Pd@MIL-101: Synergistic catalysis with cavity conform Pd-Ni nanoparticles”, J.
Hermansdörfer, M. Friedrich, N. Miyajima, R.Q. Albuquerque, S. Kümmel, R. Kempe,
Angew. Chem. Int. Ed. 51 (2012) 11473-11477.
3.
“Theoretical investigation of macrodipoles in supramolecular columnar stackings”,
R.Q. Albuquerque*, A. Timme, R. Kress, J. Senker, H.-W. Schmidt,
Chem. Eur. J. 19 (2013) 1647-1657.
2
“Towards the design of highly luminescent Europium(III) complexes”, M. Botelho, M. GalvezLopez, L. de Cola, R. Q. Albuquerque*, A. de Camargo,
Eur. J. Inorg. Chem. (2013) 5064-5070.
1.
“The Concept of Localized Atomic Mobility: Unraveling Properties of Nanoparticles“, R.G.
Capelo, L. Leppert, R.Q. Albuquerque*,
J. Phys. Chem. C (2014) 118, 21647-21654.
Page 5 of 11
Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
International Talks
13
(INVITED TALK) - "Simulation of Materials at the nanoscale", Institute for Complex
th
Molecular Systems, Technical University of Eindhoven, July 17 2014, Eindhoven, The
Netherlands.
12
(INVITED TALK) - “Self-assembled supramolecular systems”, XIII Brazilian MRS,
th
nd
September 28 - October 2 2014, João Pessoa, Brazil.
11
(INVITED TALK) - "Simulation of Materials at the nanoscale", Institute of Polymeric
th
Nanostructured Materials, University of Bayreuth, July 14 2014, Bayreuth, Germany.
10
(INVITED TALK) - "Localized Atomic Mobility in Transition- Metal nanoparticles", II IQSC
st
nd
International Workshop on Theoretical Chemistry, July 31 - August 2 2014, São
Carlos, Brazil.
9
(INVITED TALK) - "How to get a volcano?", XVII Brazilian Symposium on Theoretical
Chemistry (SBQT), November 24-28 2013, Angra dos reis, Brazil.
8
(INVITED TALK) - "Simulation of Materials at the Nanoscale", Institute of Organic
th
Chemistry, University of Wurzburg, December 16 2013, Wurzburg, Germany.
7
(INVITED TALK) - “Theoretical investigation of macrodipoles in supramolecular columnar
st
stackings”, 1 IQSC International Workshop on Theoretical Chemistry, November 2223 2012, São Carlos, Brazil.
6
(INVITED TALK) - "Diffusion-limited Energy Transfer in Blends of Oligofluorenes with an
Anthracene Derivative”, XI ELAFOT 2012, October 1-4 2012, Cordoba, Argentine.
5
(INVITED TALK) - “Structure-property relationships of self-assembled supramolecular
columns of benzene trisamide derivatives”, Light Harvesting Processes 2011, April 1014 2011, Kloster Banz, Germany.
4
(INVITED TALK) - “Functionalized zeolite L as a component for sensors and switchable
surfaces“, Photonics Europe 2008, April 7-10 2008, Strasburg, France.
3
(INVITED TALK) - “Functionalized zeolite L as a component for sensors and switchable
st
surfaces“, Supramolecular Photonics Network in Europe (Supraphone), May 31 rd
June 3 2007, Lipari, Italy.
2
(INVITED TALK) - “Luminescence quenching by oxygen of a ruthenium (II) complex
attached to a channel of zeolite L“, Photonics Europe 2006, April 3-7 2006, Strasburg,
France.
1
(ORAL PRESENTATION) - “Theoretical and experimental studies of coumarin derivatives
covalently bound to zeolite L“,The 14th International Symposium on Organosilicon
st
th
Chemistry, July 31 - August 5 2005, Würzburg, Germany.
Page 6 of 11
Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
List of Publications
Isis web of knowledge (04/14/2015)
H-Index: 16
Times cited (basis = 36 publications): 760
Times cited without self-citations: 714
Average Citations per publication = 21
ResearcherID: www.researcherid.com/rid/A-8433-2013
Monographies
2
PhD Thesis
Area = Physical Chemistry / Theoretical Chemistry)
Title: Aplication of the overlap polarizability and specific ionic valence to study chemical bonds
Place: Chemistry Department, Federal University of Pernambuco, Brazil
Supervisor: Prof. Dr. Oscar L. Malta (Brazilian Academy of Sciences)
Date: July/2004
1
Master's Thesis
Area = Physical Chemistry / Theoretical Chemistry)
Title: The investigation of the charge factors of the Simple overlap model
Place: Department of Chemistry, Federal University of Pernambuco, Recife, Brazil.
Supervisor: Prof. Dr. Oscar L. Malta (Brazilian Academy of Sciences)
Date: March/2000
Patent
1
C. Strassert, R.Q. Albuquerque, Y. Vida, L. De Cola, “The manufacture and products thereof of
photo-sensitizing nanomaterials and their use in photodynamic treatments”. European Patent
Number 2186862, US Patent Number US 8,193,343 B2.
Chapter of Books
2
”Supramolecular chromaticity and thermoresponsive hydrogels: a self-assembly study on maleamic
acid-based amphiphiles”, A. Bernet, M. Behr, R.Q. Albuquerque, M. Schmidt, J. Senker,
H.-W.
Schmidt In: Intelligent Hydrogels, Progress in Colloid and Polymer Science, vol 140, 2014, p.
99-111 (eds. G. Sadowski and W. Richtering), Springer. ISBN978-3-319-01682-5.
1
"Overlap Polarizability and Covalency in Diatomic Molecules and Europium (III) Complexes", R.Q.
Albuquerque and O.L. Malta In: NATO SCIENCE SERIES II: Mathematics, Physics and
Chemistry, vol 126, 2003, p. 163 (eds. J.-C. Krupa and N.A. Kulagin), Dordrecht: Kluwer Academic
Publishers. ISBN 1-4020-1675-1.
Papers in International Journals
35
“Impact of the AuAg NPs composition on their structure and properties: a theoretical and
experimental investigation”, J. F. Gomes, A. C. Garcia, C. Pires, E. B. Ferreira, R. Q.
Albuquerque, G. Tremiliosi-Filho, L. H. S. Gasparotto, J. Phys. Chem. C 118 (2014) 28868-28875.
34
“The Concept of Localized Atomic Mobility: Unraveling Properties of Nanoparticles“, R. G. Capelo,
L. Leppert, R.Q. Albuquerque, J. Phys. Chem. C 118 (2014) 21647-21654.
33
“Towards the design of highly luminescent Europium(III) complexes”, M. Botelho, M. Galvez-Lopez,
L. de Cola, R.Q. Albuquerque, A. de Camargo, Eur. J. Inorg. Chem. (2013) 5064-5070.
32
“The Interplay of Electronic Structure and Atomic Mobility in Nanoalloys of Au and Pt”, L. Leppert,
R.Q. Albuquerque, A. S. Foster, S. Kummel, J. Phys. Chem. C 117 (2013) 17268−17273.
31
“Controlling the π-stacking behavior of pyrene derivatives: Influence of H-bonding and steric effects
in different states of aggregation”, A.T. Haedler, H. Misslitz, C. Buehlmeyer, R.Q.Albuquerque, A.
Köhler, H.-W. Schmidt, ChemPhysChem 14 (2013) 1818-1829.
30
”Cooperative Supramolecular Polymerization driven by Metallophilic Pd-Pd Interactions”, M.J.
Mayoral, C. Rest, V. Stepanenko, J. Schellheimer, R.Q. Albuquerque, G. Fernández,
J. Am. Chem. Soc. 135 (2013) 2148-2151.
Page 7 of 11
Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
29
“Theoretical investigation of macrodipoles in supramolecular columnar stackings”, R.Q.
Albuquerque, A. Timme, R. Kress, J. Senker, H.-W. Schmidt, Chem. Eur. J. 19 (2013) 1647 –
1657.
28
“New Luminescent Host-Guest System Based on an Iridium(III) Complex: Design, Synthesis, and
Theoretical-Experimental Spectroscopic Characterization”, T.B. de Queiroz, M.B.S. Botelho, J.M.
Fernández-Hernández, H. Eckert, R.Q. Albuquerque, A.S.S. de Camargo, J. Phys. Chem. C 117
(2013) 2966-2975.
27
“Gold-platinum alloys and Vegard’s law on the nanoscale”, L. Leppert, R.Q. Albuquerque, S.
Kuemmel, Phys. Rev. B. 86 (2012) 241403.
26
“Ni/Pd@MIL-101: Synergistic catalysis with cavity conform Pd-Ni nanoparticles”, J. Hermansdörfer,
M. Friedrich, N. Miyajima, R.Q. Albuquerque, S. Kümmel, R. Kempe, Angew. Chem. Int. Ed. 51
(2012) 11473-11477.
25
“Phase
Behavior
and
Mesophase
Structures
of
1,3,5-Benzeneand
1,3,5Cyclohexanetricarboxamides: Towards an Understanding of the Losing Order at the Transition into
the Isotropic Phase”, A. Timme, R. Kress, R.Q. Albuquerque, H.-W. Schmidt, Chem. Eur. J. 18
(2012) 8329-8339.
24
"Formation of a supramolecular chromophore: a spectroscopic and theoretical study", A. Bernet,
R.Q. Albuquerque, M. Behr, S.T. Hoffmann, H.-W. Schmidt, Soft Matter, 8 (2012) 66-69.
23
“Design of new highly luminescent Tb3+ complexes using theoretical combinatorial chemistry”,
R.Q. Albuquerque, N.B. Da Costa, R.O. Freire, J. Lumin. 131 (2011) 2487-2491.
22
“Diffusion-limited energy transfer in blends of oligofluorenes with an anthracene derivative”,
R.Q. Albuquerque, C.C. Hofmann, J. Köhler, A.Köhler, J. Phys. Chem. B. 115 (2011) 8063-8070.
21
“Triplet Excimer Emission in a Series of 4,4′-Bis(N-carbazolyl)-2,2′-biphenyl Derivatives”, S.T.
Hoffmann, P. Schroegel, M. Rothmann, R.Q. Albuquerque, P. Strohriegl, and A. Kohler,
J. Phys. Chem. B 115 (2011) 414–421.
20
“Supramolecular host-guest flavylium-loaded zeolite L hybrid materials: network of reactions and
photochemistry of encapsulated 7,4’-Dihydroxyflavylium”, R. Gomes, R.Q. Albuquerque, F.
Pina,
A.J. Parola, L. De Cola, Photochem. Photobiol. Sci. 9 (2010) 991-995.
19
"On the reversible photoisomerization of spiropyran-functionalized zeolite L single crystals,
R.Q. Albuquerque, J. Kühni, P. Belser, L. De Cola, ChemPhysChem 11 (2010) 575-578.
18
"Photoactive hybrid nanomaterial for targeting, labeling and killing antibiotic resistant bacteria, C.A.
Strassert, M. Otter, R.Q. Albuquerque, A. Höne, Y. Vida, B. Mayer, L. De Cola,
Angew. Chem. Int. Ed. 48 (2009) 7928-7931. (VIP paper) - Reported in the Research Highlights of
Nature Chemistry (doi:10.1038/nchem.408).
17
"Dinuclear Double-Stranded Oxocomplex of Re(V) Containing a Bis-(benzene-o-dithiolato)
Ligand", J.S. Gancheff, R.Q. Albuquerque, A. Guerrero-Martínez, T. Pape, L. De Cola, F.E. Hahn,
Eur. J. Inorg. Chem. (2009) 4043-4051.
16
“Essential Role of the Ancillary Ligand in the Color Tuning of Iridium Tetrazolate Complexes”, S.
Stagni, S. Colella, A. Palazzi, G. Valenti, S. Zacchini, F. Paolucci, M. Marcaccio, R.Q. Albuquerque,
L. De Cola, Inorg. Chem. 47 (2008) 10509-10521.
15
“Tuning Emission Properties of Iridium and Ruthenium Metallosurfactants in Micellar Systems”, A.
Guerrero-Martinez, Y. Vida, D. Dominguez-Gutierrez, R.Q. Albuquerque, L. De Cola, Inorg. Chem.
47 (2008) 9131-9133.
14
"1,2,3-Triazolyl-Pyridine Derivatives as Chelating Ligands for Blue Iridium(III) Complexes.
Photophysics and Electroluminescent Devices", E. Orselli, R.Q. Albuquerque, P.M. Fransen,
R. Fröhlich, A.E. Konradsson, H.M. Janssen, L. De Cola, J. Mater. Chem. 18 (2008) 4579-4590.
13
"Proton activity inside the channels of zeolite
Chem. Eur. J. 13 (2007) 8939-8952. (COVER PAGE)
12
L",
R.Q.
Albuquerque,
G.
Calzaferri,
"Luminescence quenching by O2 of a Ru(II) complex with a tail penetrating into a channel of
zeolite
L",
R.Q.
Albuquerque,
Z.
Popovic,
L.
De
Cola,
G.
Calzaferri,
ChemPhysChem 7 (2006) 1050-1053.
Page 8 of 11
Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
11
"Luminescence quenching measurements on zeolite L monolayers", R.Q. Albuquerque, A.Z.
Ruiz, H. Li, L. De Cola, G. Calzaferri, Proc. of SPIE 6197 (2006) 61970B/1-61970B/5.
10
"On the use of ligand field parameters in the study of coordinated water molecules in Eu(III)
complexes", R.Q. Albuquerque, R.O. Freire and O.L. Malta, J. Phys. Chem. A 109 (2005) 46074610.
9
"Synthesis, characterization and spectroscopic study of Eu(III) complexes with 3aminopicolinic acid derivatives", C.C.C. Bejan, G.B. Rocha, R.Q. Albuquerque, F.W.J.
Demnitz, G.F. de Sa, S. Alves, Jr., J. Lumin. 113 (2005) 79-88.
8
"On the use of combinatory chemistry to the design of new luminescent Eu3+ complexes",
R.O. Freire, R.Q. Albuquerque, S.A. Junior, G.B. Rocha, M.E. de Mesquita,
Chem. Phys. Lett. 405 (2005) 123-126.
7
"A covalent fraction model for lanthanide compounds",
R.Q. Albuquerque, Chem. Phys. Lett. 415 (2005) 238-242.
6
"Efficacy of the semiempirical sparkle model as compared to ECP ab-initio calculations for the
prediction of ligand field parameters of europium(III) complexes", R.O. Freire RO, G.B.
Rocha, R.Q. Albuquerque, A.M. Simas, J. Lumin. 111 (2005) 81-87.
5
"Study of the luminescence of Eu(III), Tb(III) and Gd(III) cryptates containing Py(CO2Et)(2) as
ligands", S.P. Vila-Nova, G.A.L. Pereira, R.Q. Albuquerque, G. Mathis, H. Bazin, H. Autiero,
G.F. de Sa, S. Alves, Jr., J. Lumin. 109 (2004) 173-179.
4
"Eu(III) and Gd(III) complexes with pirazyne-2-carboxylic acid: luminescence and modelling of
the structure and energy transfer process", M.E. Mesquita, F.R.G. Silva, R.Q. Albuquerque,
R.O. Freire, E.C. da Conceicao, J.E.C. da Silva, N.B.C. Junior, G.F. de Sa,
J. Alloys Comp. 366 (2004) 124-131.
3
"Highly
luminescent Eu(III) complexes with naphtoiltrifluoroacetone and dimethylsulfoxide",
L.D. Carlos, C. De Mello Donega, R.Q. Albuquerque, S. Alves, Jr., J.F.S. Menezes and O.L.
Malta, Mol. Phys. 101 (2003) 1037-1045.
2
"Experimental and theoretical study of ligand field, 4f-4f intensities and emission quantum
yield in the compound Eu(bpyO(2))(4)(ClO4)(3)", O.L. Malta, J. Legendziewicz, E.
Huskowska, I. Turowska-Tyrk, R.Q. Albuquerque, C.M. Donega, F.R.G. e Silva,
J. Alloys Comp. 323 (2001) 654-660.
1
"On the Charge Factors of The Simple Overlap Model", R.Q. Albuquerque, G.B. Rocha, P. Porcher,
O.L. Malta, Chem. Phys. Lett. 331 (2000) 519-525.
Page 9 of 11
L.D.
Carlos,
O.L.
Malta,
Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
International References
Prof. Dr. Stephan Kümmel (Full Professor, Germany)
http://www.tp4.uni-bayreuth.de/de/index.html
E-mail: [email protected]
Tel: +49 921 55-3220
Address: Universität Bayreuth
Theoretische Physik IV
95440 Bayreuth, Germany
Prof. Dr. Hellmut Eckert (Full Professor, Germany)
www.uni-muenster.de/Chemie.pc/eckert/
E-mail: [email protected]
Tel: +49 251 83-29161 & +55 16 3373-8775
Address: Universität Münster
Institut für Physikalische Chemie
Corrensstr. 28/30
D-48149 Münster, Germany
Prof. Dr. Oscar L. Malta (Full Professor, Brazil)
http://www.dqf.ufpe.br/index.php?option=com_content&view=article&id=321%3Aprof-oscarloureiro-malta-&catid=1&Itemid=233
E-mail: [email protected]
Tel: +55 81 2126-7459
Address: Federal University of Pernambuco (UFPE)
Departamento de Química Fundamental
Av. Prof. Moraes Rego, 1235, Cidade Universitária
50670-901 Recife/PE, Brazil
Prof. Dr. Gion Calzaferri (Full Professor, Switzerland)
www.groups.dcb.unibe.ch/groups/calzaferri/
E-mail: [email protected]
Tel: +41 31 631 42 36 & +41 31 631 42 26
Address: University of Berne
Department of Chemistry and Biochemistry
Freiestrasse 3
CH-3012 Bern, Switzerland
Prof. Dr. Luís A. Dias Carlos (Full Professor, Portugal)
http://sweet.ua.pt/lcarlos/
E-mail: [email protected]
Tel: +351 234370946
Address: University of Aveiro
Physics Department
3810-193 Aveiro, Portugal
Page 10 of 11
Curriculum Vitae
Prof. Dr. Rodrigo Q. Albuquerque
Research Interests
In my research group, computational chemistry techniques (Molecular Dynamics of large systems,
DFT, ab initio and semiempirical calculations), and the development of new methodologies, interaction
potentials for new materials and linux scripts are used to investigate:
a) Self-assembly of supramolecules. We wish to understand how monomeric units consisting of
organic molecules or coordination compounds self-assemble to form giant polymeric supramolecules
(See Fig. below) and which physical-chemical properties arise from this assembling. At long term, we
would like to design new supramolecules exhibiting desired properties (e.g. luminescence,
macrodipole, columnar formation, morphology, melting point, etc) out of specific monomer units. The
collaboration with experimental groups is very important here. MD techniques and smiempirical
calculations are used. For more details, see:
J. Am. Chem. Soc. 135 (2013) 2148 or Chem. Eur. J. 19 (2013) 1647.
b) Properties of nanoalloys-based materials. Molecular dynamics are used to describe the
properties of nanoalloys containing different kinds of metallic atoms (e.g. Au, Pt, Pd, Ni, etc) and
geometries (core-shell, shell-core, solid solution). New interaction potentials are currently being
developed to simulate hybrid materials formed by transition-metal NPs embedded in ceramics (see
Fig. below). Finally, we also wish to understand the dynamics of nanocrystals’ growth based on their
atomic composition and geometry. Here, collaboration with experimental groups is also very important.
For more details, see:
Angew. Chem. Int. Ed. 51 (2012) 11473 and J. Phys. Chem. C 118 (2014) 21647.
Page 11 of 11