Perla B Balbuena

Summary

Affiliation: Texas A and M University
Country: USA

Publications

  1. ncbi request reprint Complexation of Cu(II) Ions with the lowest generation poly(amido-amine)-OH dendrimers: a molecular simulation study
    Francisco Tarazona-Vasquez
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem B 109:12480-90. 2005
  2. doi request reprint DFT analysis of Li intercalation mechanisms in the Fe-phthalocyanine cathode of Li-ion batteries
    G Ramos-Sanchez
    Artie Mc Ferrin Department of Chemical Engineering, Texas A and M University, College Station, TX 77843, USA
    Phys Chem Chem Phys 16:743-52. 2013
  3. doi request reprint Interactions of platinum clusters with a graphite substrate
    G Ramos-Sanchez
    Artie and McFerrin Department of Chemical Engineering, Texas A and M University, College Station TX 77843, USA
    Phys Chem Chem Phys 15:11950-9. 2013
  4. ncbi request reprint Adsorption and dissociation of H2O2 on Pt and Pt-alloy clusters and surfaces
    Perla B Balbuena
    Department of Chemical Engineering and Department of Electrical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem B 110:17452-9. 2006
  5. doi request reprint Vibrational spectra of anhydrous and monohydrated caffeine and theophylline molecules and crystals
    Perla B Balbuena
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem A 112:10210-9. 2008
  6. ncbi request reprint Dendrimer-tetrachloroplatinate precursor interactions. 2. Noncovalent binding in PAMAM outer pockets
    Francisco Tarazona-Vasquez
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem A 111:945-53. 2007
  7. doi request reprint Evaluation of the impact of H2O, O2, and SO2 on postcombustion CO2 capture in metal-organic frameworks
    Jiamei Yu
    Artie McFerrin Department of Chemical Engineering, Texas A and M University, College Station, Texas 77842 3122, United States
    Langmuir 28:8064-71. 2012
  8. doi request reprint Nanocatalyst structure as a template to define chirality of nascent single-walled carbon nanotubes
    Diego A Gómez-Gualdrón
    Department of Chemical Engineering and Material Sciences and Engineering Program Texas A and M University, College Station, Texas 77843, USA
    J Chem Phys 134:014705. 2011
  9. doi request reprint Growth of chiral single-walled carbon nanotube caps in the presence of a cobalt cluster
    Diego A Gómez-Gualdrón
    Department of Chemical Engineering, Texas A and M University, College Station, TX 77843, USA
    Nanotechnology 20:215601. 2009
  10. doi request reprint Dynamic evolution of supported metal nanocatalyst/carbon structure during single-walled carbon nanotube growth
    Diego A Gómez-Gualdrón
    Department of Chemical Engineering and Material Sciences and Engineering Program, Texas A and M University, College Station, Texas 77843, USA
    ACS Nano 6:720-35. 2012

Collaborators

  • Hong Cai Zhou
  • Kevin Leung
  • Yixuan Wang
  • James A Ritter
  • Diego A Gómez-Gualdrón
  • Yuguang Ma
  • Julibeth M Martínez de La Hoz
  • Gustavo E Ramirez-Caballero
  • Francisco Tarazona-Vasquez
  • G Ramos-Sanchez
  • Jiamei Yu
  • Rafael Callejas-Tovar
  • Carlos Guadarrama-Pérez
  • Ju Won Jeon
  • Jinhee Park
  • Mario Wriedt
  • Andrey A Yakovenko
  • Jin Zhao
  • Kevin Lamonte
  • Alberto Martinez Limia
  • L G Scanlon
  • Jodie L Lutkenhaus
  • Jared F Mike
  • A Callejas-Tovar
  • Lin Shao
  • Julian P Sculley
  • Liliana Hernandez
  • Lin Bing Sun
  • Gregory J Halder
  • Juan F J Alvarado
  • Ying Pin Chen
  • Jian Rong Li
  • Gilbert D McKenzie
  • Zhiyong U Wang
  • Juan C Burgos
  • Pussana Hirunsit
  • Lawrence G Scanlon
  • Fredy A Cabrales Navarro
  • Giselle Sandi
  • William Feld

Detail Information

Publications30

  1. ncbi request reprint Complexation of Cu(II) Ions with the lowest generation poly(amido-amine)-OH dendrimers: a molecular simulation study
    Francisco Tarazona-Vasquez
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem B 109:12480-90. 2005
    ..A discussion of currently available experimental results in Cu(II) complexation in larger generation dendrimers is provided...
  2. doi request reprint DFT analysis of Li intercalation mechanisms in the Fe-phthalocyanine cathode of Li-ion batteries
    G Ramos-Sanchez
    Artie Mc Ferrin Department of Chemical Engineering, Texas A and M University, College Station, TX 77843, USA
    Phys Chem Chem Phys 16:743-52. 2013
    ..2 to -0.2 is responsible for the high intercalation voltage; however the further reduction contributions of N, C, and even H atoms make FePc a suitable cathode for Li-ion battery applications. ..
  3. doi request reprint Interactions of platinum clusters with a graphite substrate
    G Ramos-Sanchez
    Artie and McFerrin Department of Chemical Engineering, Texas A and M University, College Station TX 77843, USA
    Phys Chem Chem Phys 15:11950-9. 2013
    ..The interaction with graphite enhances the metallic character of the cluster as shown by density of states analyses. New states resulting from the interaction between graphite and the metal cluster may modify its catalytic behavior. ..
  4. ncbi request reprint Adsorption and dissociation of H2O2 on Pt and Pt-alloy clusters and surfaces
    Perla B Balbuena
    Department of Chemical Engineering and Department of Electrical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem B 110:17452-9. 2006
    ..We also found that the water-H(2)O(2) interaction reduces the strength of the adsorption of H(2)O(2) on these clusters and surfaces...
  5. doi request reprint Vibrational spectra of anhydrous and monohydrated caffeine and theophylline molecules and crystals
    Perla B Balbuena
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem A 112:10210-9. 2008
    ..Findings illustrate challenges of terahertz technology for the detection of specific substances in condensed phases...
  6. ncbi request reprint Dendrimer-tetrachloroplatinate precursor interactions. 2. Noncovalent binding in PAMAM outer pockets
    Francisco Tarazona-Vasquez
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem A 111:945-53. 2007
    ..Conformational changes triggered by the hosting of particular guests can have an impact in the global configuration of the larger dendrimer the pockets are part of...
  7. doi request reprint Evaluation of the impact of H2O, O2, and SO2 on postcombustion CO2 capture in metal-organic frameworks
    Jiamei Yu
    Artie McFerrin Department of Chemical Engineering, Texas A and M University, College Station, Texas 77842 3122, United States
    Langmuir 28:8064-71. 2012
    ..A slightly lower CO(2)/N(2) selectivity of a CO(2)/N(2)/H(2)O/SO(2) mixture is observed compared with that in a CO(2)/N(2)/H(2)O mixture, especially at high pressures, due to the strong SO(2) binding with HKUST-1...
  8. doi request reprint Nanocatalyst structure as a template to define chirality of nascent single-walled carbon nanotubes
    Diego A Gómez-Gualdrón
    Department of Chemical Engineering and Material Sciences and Engineering Program Texas A and M University, College Station, Texas 77843, USA
    J Chem Phys 134:014705. 2011
    ....
  9. doi request reprint Growth of chiral single-walled carbon nanotube caps in the presence of a cobalt cluster
    Diego A Gómez-Gualdrón
    Department of Chemical Engineering, Texas A and M University, College Station, TX 77843, USA
    Nanotechnology 20:215601. 2009
    ..The energetics for both steps reveals that the dissolution stage is probably controlling the overall nanotube growth rate...
  10. doi request reprint Dynamic evolution of supported metal nanocatalyst/carbon structure during single-walled carbon nanotube growth
    Diego A Gómez-Gualdrón
    Department of Chemical Engineering and Material Sciences and Engineering Program, Texas A and M University, College Station, Texas 77843, USA
    ACS Nano 6:720-35. 2012
    ..These results suggest that an appropriate combination of nanoparticle size and strength of the catalyst/support interaction may enhance the desired template effect and bias formation of specific nanotube chiralities...
  11. ncbi request reprint Dendrimer-tetrachloroplatinate precursor interactions. 1. Hydration of Pt(II) species and PAMAM outer pockets
    Francisco Tarazona-Vasquez
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem A 111:932-44. 2007
    ..The effect of explicit water on the infrared spectra of the dendrimer pockets is reported and compared to experimental values...
  12. doi request reprint Theoretical infrared and terahertz spectra of an RDX/aluminum complex
    Carlos Guadarrama-Pérez
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem A 114:2284-92. 2010
    ..The calculated spectra serve as an initial guideline to interpret the main peaks of previously reported RDX films on Al...
  13. ncbi request reprint Molecular dynamics study of the initial stages of catalyzed single-wall carbon nanotubes growth: force field development
    Alberto Martinez Limia
    Department of Chemical Engineering, Texas A and M University, College Station, TX 77843, USA
    J Mol Model 13:595-600. 2007
    ....
  14. doi request reprint Adsorption of binary gas mixtures in heterogeneous carbon predicted by density functional theory: on the formation of adsorption azeotropes
    James A Ritter
    Department of Chemical Engineering, University of South Carolina, Columbia, South Carolina 29208, USA
    Langmuir 26:13968-75. 2010
    ....
  15. doi request reprint Low-energy selective capture of carbon dioxide by a pre-designed elastic single-molecule trap
    Mario Wriedt
    Department of Chemistry, Texas A and M University, College Station, TX 77843, USA
    Angew Chem Int Ed Engl 51:9804-8. 2012
    ..This elastic CO(2) trapping effect was confirmed by single-component and binary gas-adsorption isotherms and crystallographic determination...
  16. ncbi request reprint Catalytic activity tuning of a biomimetic HO-FeV=O oxidant for methane hydroxylation by substituents on aromatic rings: theoretical study
    Yuguang Ma
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem B 111:2711-8. 2007
    ....
  17. ncbi request reprint Shell-anchor-core structures for enhanced stability and catalytic oxygen reduction activity
    Gustavo E Ramirez-Caballero
    Materials Science and Engineering Program, Texas A and M University, College Station, Texas 77843, USA
    J Chem Phys 133:134705. 2010
    ....
  18. doi request reprint Carbon nanotubes: engineering biomedical applications
    Diego A Gómez-Gualdrón
    Department of Chemical Engineering and Materials Science and Engineering Program, Texas A and M University, College Station, TX, USA
    Prog Mol Biol Transl Sci 104:175-245. 2011
    ..The chapter ends with a review of the current biomedical applications of carbon nanotubes, highlighting successes and challenges...
  19. ncbi request reprint Ethanol reforming on Co(0001) surfaces: a density functional theory study
    Yuguang Ma
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem A 116:1409-16. 2012
    ..The dehydrogenation of ethoxy possesses the highest barrier and is accordingly identified as the rate-determining step...
  20. ncbi request reprint Role of the catalyst in the growth of single-wall carbon nanotubes
    Perla B Balbuena
    Department of Chemical Engineering, Texas A and M University, College Station, TX 77843, USA
    J Nanosci Nanotechnol 6:1247-58. 2006
    ....
  21. doi request reprint Reduction mechanisms of ethylene carbonate on si anodes of lithium-ion batteries: effects of degree of lithiation and nature of exposed surface
    Julibeth M Martínez de La Hoz
    Department of Chemical Engineering and Department of Materials Science and Engineering, Texas A and M University, College Station, Texas 77843, United States
    ACS Appl Mater Interfaces 5:13457-65. 2013
    ..Direct transfer of two electrons to EC molecules in liquid phase is also possible, resulting in the presence of O(C2H4)OCO(2-) anions in the liquid phase. ..
  22. doi request reprint Oxidatively stable polyaniline:polyacid electrodes for electrochemical energy storage
    Ju Won Jeon
    Artie McFerrin Department of Chemical Engineering, Texas A and M University, 3122 TAMU, College Station, TX 77843 3122, USA
    Phys Chem Chem Phys 15:9654-62. 2013
    ..This approach provides a highly stable, electrochemically reversible replacement for conventional polyaniline...
  23. doi request reprint Local surface structure effect on reactivity of molecules confined between metallic surfaces
    Julibeth M Martínez de La Hoz
    Department of Chemical Engineering, and Materials Science and Engineering Program, Texas A and M University, College Station, TX 77843, USA
    Phys Chem Chem Phys 15:1647-54. 2013
    ....
  24. doi request reprint Vibrational spectra of an RDX film over an aluminum substrate from molecular dynamics simulations and density functional theory
    Julibeth M Martínez de La Hoz
    Department of Chemical Engineering, and Materials Science and Engineering Program, Texas A and M University, College Station, TX 77843, USA
    J Mol Model 19:2773-8. 2013
    ....
  25. ncbi request reprint Surface segregation and stability of core-shell alloy catalysts for oxygen reduction in acid medium
    Gustavo E Ramirez-Caballero
    Department of Chemical Engineering, Texas A and M University, College Station, TX 77843, USA
    Phys Chem Chem Phys 12:2209-18. 2010
    ....
  26. doi request reprint A versatile metal-organic framework for carbon dioxide capture and cooperative catalysis
    Jinhee Park
    Department of Chemistry, Texas A and M University, College Station, TX 77842 3012, USA
    Chem Commun (Camb) 48:9995-7. 2012
    ..exhibits selective adsorption of CO(2) over CH(4) and excellent catalytic activity in a tandem one-pot deacetalization-Knoevenagel condensation reaction as a cooperative catalyst...
  27. ncbi request reprint Molecular dynamics simulations of surface oxide-water interactions on Pt(111) and Pt/PtCo/Pt(3)Co(111)
    Rafael Callejas-Tovar
    Artie McFerrin Department of Chemical Engineering, Texas A and M University, College Station, TX 77843, USA
    Phys Chem Chem Phys 13:20461-70. 2011
    ..Our simulation model is able to qualitatively reproduce features of the degradation of the catalyst surface after oxidation and reduction cycles...
  28. ncbi request reprint Confinement effects on alloy reactivity
    Gustavo E Ramirez-Caballero
    Materials Science and Engineering Program, Texas A and M University, College Station, TX 77843, USA
    Phys Chem Chem Phys 12:12466-71. 2010
    ..The results suggest that such confinement effects may be further designed for specific applications by tuning the alloy composition...
  29. ncbi request reprint The role of cap chirality in the mechanism of growth of single-wall carbon nanotubes
    Diego A Gómez-Gualdrón
    Department of Chemical Engineering, Texas A and M University, College Station, TX 77843, USA
    Nanotechnology 19:485604. 2008
    ..Our findings explain several features of nanotube growth found in experimental synthesis...
  30. ncbi request reprint Molecular dynamics simulations of H2 adsorption in tetramethyl ammonium lithium phthalocyanine crystalline structures
    Kevin Lamonte
    Department of Chemical Engineering, Texas A and M University, College Station, Texas 77843, USA
    J Phys Chem B 112:15775-82. 2008
    ....