Tewari, D., Rangarajan, S. P., Balbuena, P. B., Barsukov, Y., & Mukherjee, P. P.
(2020).Mesoscale Anatomy of Dead Lithium Formation. Journal of Physical Chemistry C.
124(12), 6502-6511.
Sharifi-Asl, S., Soto, F. A., Foroozan, T., Asadi, M., Yuan, Y., Deivanayagam, R., ... Shahbazian-Yassar, R.
(2019).Anti-Oxygen Leaking LiCoO2. Advanced Functional Materials.
29(23),
Zschornak, M., Meutzner, F., Lueck, J., Latz, A., Leisegang, T., Hanzig, J., ... Balbuena, P. B.
(2018).Fundamental principles of battery design. 3(11), 20170111.
Sharifi-Asl, S., Soto, F. A., Nie, A., Yuan, Y., Asayesh-Ardakani, H., Foroozan, T., ... Shahbazian-Yassar, R.
(2017).Facet-Dependent Thermal Instability in LiCoO2. Nano Letters: a journal dedicated to nanoscience and nanotechnology.
17(4), 2165-2171.
Ma, Y., Hernndez, L., Guadarrama-Prez, C., & Balbuena, P. B.
(2012).Ethanol reforming on Co(0001) surfaces: a density functional theory study. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
116(5), 1409-1416.
Guadarrama-Prez, C., Martnez de La Hoz, J. M., & Balbuena, P. B.
(2010).Theoretical infrared and terahertz spectra of an RDX/aluminum complex. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
114(6), 2284-2292.
Guadarrama-Perez, C., de la Hoz, J., & Balbuena, P. B.
(2010).Theoretical Infrared and Terahertz Spectra of an RDX/Aluminum Complex. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
114(29), 7815-7815.
Scanlon, L. G., Feld, W. A., Balbuena, P. B., Sandi, G., Duan, X., Underwood, K. A., ... Tsao, M.
(2009).Hydrogen storage based on physisorption. The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter.
113(14), 4708-4717.
Saenz, L. R., Balbuena, P. B., & Seminario, J. M.
(2006).Platinum testbeds: interaction with oxygen. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
110(43), 11968-11974.
Scanlon, L. G., Lucente, L. R., Feld, W. A., Sandi, G., Balbuena, P. B., Alonso, P. R., & Turner, A.
(2004).Composite Cathode with Li2Pc. Journal of Electrochemical Society.
151(9), a1338-a1343.
Balbuena, P. B., Altomare, D., Vadlamani, N., Bingi, S., Agapito, L. A., & Seminario, J. M.
(2004).Adsorption of O, OH, and H2O on Pt-based bimetallic clusters alloyed with Co, Cr, and Ni. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
108(30), 6378-6384.
Mainardi, D. S., & Balbuena, P. B.
(2003).Hydrogen and Oxygen Adsorption on Rh n (n = 16) Clusters. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
107(48), 10370-10380.
Wang, Y., & Balbuena, P. B.
(2002).Associations of Lithium Alkyl Dicarbonates through OLiO Interactions. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
106(41), 9582-9594.
Huang, S., & Balbuena, P. B.
(2002).Melting of Bimetallic CuNi Nanoclusters. The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter.
106(29), 7225-7236.
Wang, Y., & Balbuena, P. B.
(2001).Associations of Alkyl Carbonates: Intermolecular CHO Interactions. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
105(43), 9972-9982.
Derosa, P. A., Seminario, J. M., & Balbuena, P. B.
(2001).Properties of small bimetallic Ni-Cu clusters. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
105(33), 7917-7925.
Balbuena, P. B., Derosa, P. A., & Seminario, J. M.
(1999).Density functional theory study of copper clusters. The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter.
103(15), 2830-2840.
Zschornak, M., Meutzner, F., Lueck, J., Latz, A., Leisegang, T., Hanzig, J., ... Balbuena, P. B.
(2019).Fundamental principles of battery design. ELECTROCHEMICAL STORAGE MATERIALS: FROM CRYSTALLOGRAPHY TO MANUFACTURING TECHNOLOGY.
(pp. 17-39).
DE GRUYTER.
Ramos-Sanchez, G., Dang, N., & Balbuena, P. B.
(2016).Multi-scale Simulation Study of Pt-Alloys Degradation for Fuel Cells Applications. Green Energy and Technology.
PHYSICAL MULTISCALE MODELING AND NUMERICAL SIMULATION OF ELECTROCHEMICAL DEVICES FOR ENERGY CONVERSION AND STORAGE: FROM THEORY TO ENGINEERING TO PRACTICE.
(pp. 37-59).
Springer Nature.
Gomez-Ballesteros, J. L., Callejas-Tovar, A., Coelho, L., & Balbuena, P. B.
(2014).Molecular Dynamics Studies of Graphite Exfoliation Using Supercritical CO2. Challenges and Advances in Computational Chemistry and Physics.
DESIGN AND APPLICATIONS OF NANOMATERIALS FOR SENSORS.
(pp. 171-183).
Springer Nature.
Balbuena, P. B., Saenz, L. R., Herrera, C., & Seminario, J. M.
(2007).Electrical Characteristics of Bulk-Molecule Interfaces. Theoretical and Computational Chemistry.
NANOMATERIALS: DESIGN AND SIMULATION.
(pp. 1-33).
Balbuena, P. B., & Seminario, J. M.
(2007).Nanomaterials: Design and Simulation Preface. Theoretical and Computational Chemistry.
NANOMATERIALS: DESIGN AND SIMULATION.
(pp. VII-VII).