Publications
Refereed papers
1. A. Lopez-Bezanilla, J. Huang, H. Terrones, B. G. Sumpter, “Boron nitride nanoribbons become metallic”, 2011, ASAP.
2. G. Feng, J. Huang, B. G. Sumpter, V. Meunier, R. Qiao, “A ‘counter-charge layer in generalized solvents’ framework for electrical double layers in neat and hybrid ionic liquid electrolytes”, 2011, ASAP.
3. J. J. Yoo, K. Balakrishnan, J. Huang, V. Meunier, B. G. Sumpter, A. Srivastava, M. Conway, L. M. R. Arava, J. Yu, R. Vajtai, P. Ajayan, “Ultrathin Planar Graphene Supercapacitors”, Nano Letters, 2011, 11, 1423.
4. J. Huang, B. G. Sumpter, V. Meunier, Y.-H. Tian, M. Kertesz, “Cyclo-biphenalenyl biradicaloid molecular materials: conformation, tautomerization, magnetism, and thermochromism”, Chemistry of Materials, 2011, 23, 874-885. (Special issue on pi-functionalized materials)
5. G. Feng, R. Qiao, J. Huang, S. Dai, B. G. Sumpter, V. Meunier, “The importance of ion size and electrode curvature on electrical double layers in ionic liquids”, Physical Chemistry Chemical Physics, 2011, 13, 1152-1161.
6. G. Feng, R. Qiao, J. Huang, B. G. Sumpter, V. Meunier, “Atomistic insight on the charging energetics in sub-nanometer pore supercapacitors”, Journal of Physical Chemistry C, 2010, 114, 18012-18016.
7. J. Huang, R. Qiao, B. G. Sumpter, V. Meunier, “Effect of diffuse layer and pore shapes in mesoporous carbon supercapacitors”, Journal of Materials Research, 2010, 25, 1469-1475. (Focus issue on materials for electrical energy storage)
8. J. Huang, B. G. Sumpter, V. Meunier, G. Yushin, C. Portet, Y. Gogotsi, “Curvature effects in carbon nano-materials: exohedral versus endohedral supercapacitors”, Journal of Materials Research, 2010, 25, 1525-1531. (Cover highlight for focus issue on materials for electrical energy storage)
9. G. Feng G, J. Huang, B. G. Sumpter, V. Meunier, R. Qiao, “Structures and dynamics of electrical double layers in organic electrolytes”, Physical Chemistry Chemical Physics, 2010, 12, 5468-5479.
10. Y.-H. Tian, J. Huang, M. Kertesz, “Fluxional -bonds of 2,5,8-tri-tertbutyl-1,3-diazaphenalenyl dimers: stepwise [3,3], [5,5], and [7,7] sigmatropic rearrangements via -dimer intermediates”, Physical Chemistry Chemical Physics, 2010, 12, 5084-5093.
11. G. Feng, R. Qiao, J. Huang, B. G. Sumpter, V. Meunier, “Ion distribution in electrified micropores and its role in the anomalous enhancement of capacitance”, ACS Nano, 2010, 4, 2382.
12. C. Cagle, G. Feng, R. Qiao, J. Huang, B. G. Sumpter, V. Meunier, “Structure and charging kinetics of electrical double layers at large electrode voltages”, Microfluidics and Nanofluidics, 2010, 8, 703-708.
13. Y. Li, A. J. Lampkins, M. B. Baker, B. G. Sumpter, J. Huang, K. A. Abboud, R. K. Castellano, “Benzotrifuranone: synthesis, structure, and access to planar heteroaromatics”, Organic Letters, 2009, 11, 4314-4317.
14. B. G. Sumpter, J. Huang, V. Meunier, J. M. Romo-Herrera, E. Cruz-Silva, H. Terrones, M. Terrones, “A theoretical and experimental study on manipulating the structure and properties of carbon nanotubes using substitutional dopants”, International Journal of Quantum Chemistry, 2009, 109, 97-118.
15. J. Huang, B. G. Sumpter, V. Meunier, “A universal model for nanoporous carbon supercapacitors applicable to diverse pore regimes, carbon materials, and electrolytes”, Chemistry - a European Journal, 2008, 14, 6614-6626.
16. J. Huang, S. Kingsbury, M. Kertesz, “Crystal packing of TCNQ anion pi-radicals governed by intermolecular covalent pi-pi bonding: DFT calculations and statistical analysis of crystal structures”, Physical Chemistry Chemical Physics, 2008, 10, 2625-2635. (Invited contribution to the themed issue on stacking interactions; and dedicated to Prof. Roald Hoffmann on the occasion of his 70th birthday)
17. J. Huang, B. G. Sumpter, V. Meunier, “Theoretical model for nanoporous carbon supercapacitors”, Angewandte Chemie - International Edition, 2008, 47, 520-524 (English version); Angewandte Chemie 2008, 120, 530-534 (German version).
18. J. Huang, M. Kertesz, “Theoretical analysis of intermolecular covalent pi-pi bonding and magnetic properties of phenalenyl and spiro-biphenalenyl radical pi-dimers”, Journal of Physical Chemistry A, 2007, 111, 6304-6315.
19. J. Huang, M. Kertesz, “Intermolecular covalent pi-pi bonding interaction indicated by bond distances, energy bands, and magnetism in biphenalenyl biradicaloid molecular crystal”, Journal of the American Chemical Society, 2007, 129, 1634-1643.
20. J. Huang, M. Kertesz, “Stepwise Cope rearrangement of cyclo-biphenalenyl via an unusual multicenter covalent pi-bonded intermediate”, Journal of the American Chemical Society, 2006, 128, 7277-7286. (highlight at http://comporgchem.com/ blog/?cat=10)
21. J. Huang, M. Kertesz, “One-dimensional metallic conducting pathway of cyclohexyl-substituted spiro-biphenalenyl neutral radical molecular crystal”, Journal of the American Chemical Society, 2006, 128, 1418-1419. (highlight at http://www.oe-chemicals.com/latest_news_autumn_2006.html)
22. J. Huang, M. Kertesz, “Electronic structures and charge transport properties of the organic semiconductor bis[1,2,5]thiadiazolo-p-quinobis(1,3-dithiole), BTQBT, and its derivatives”, Journal of Physical Chemistry B, 2005, 109, 12891-12898.
23. J. Huang, M. Kertesz, “Validation of intermolecular transfer integral and bandwidth calculations for organic molecular materials”, The Journal of Chemical Physics, 2005, 122, Article Number 234707.
24. J. Huang, M. Kertesz, “Intermolecular transfer integrals for organic molecular materials: can basis set convergence be achieved?”, Chemical Physics Letters, 2004, 390, 110-115.
25. J. Huang, M. Kertesz, “Spin crossover of spiro-biphenalenyl neutral radical molecular conductors”, Journal of the American Chemical Society, 2003, 125, 13334-13335.
26. J. Huang, F. Y. Yao, J. P. Wei, Z. X. Zhou, W. K. Hu, “Hydrogen diffusion in amorphous Ti0.88Ni1.00 film”, Chinese Chemical Letters, 1997, 8, 1005-1006.
27. Z. X. Zhou, J. Huang, W. K. Hu, F. Y. Yao, Y. S. Zhang, “Hydrogen diffusion studies of microcrystalline and crystalline LaNi3.94Si0.54 films”, Journal of Alloys and Compounds, 1995, 231, 297-301.
28. J. Huang, Z. X. Zhou, W. K. Hu, F. Y. Yao, D. Y. Song, “Short Communication - Hydrogen diffusion studies of microcrystalline LaNi3.94Si0.54 films using the electrochemical permeation technique”, International Journal of Hydrogen Energy, 1995, 20, 849-851.
Book Chapters
29. J. Huang, A. Beste, J. Younker, A. Vazquez-Mayagoitia, E. Cruz-Silva, M. Fuentes-Cabrera, J. Jakowski, A. Lopez-Bezanilla, V. Meunier, B. G. Sumpter, “Chapter X. Advancing understanding and design of functional materials through theoretical and computational chemical physics” in book titled “Practical aspects of computational chemistry II: an overview of the last two decades and current trends”, Editors: Jerzy Leszczynski, Manoj. K. Shukla, Helene de Rode; Springer: 2012, in press (Invited contribution).
30. J. Huang, R. Qiao, G. Feng, V. Meunier, B. G. Sumpter, “Chapter 5. Modern theories of carbon-based electrochemical capacitors” in book titled “Supercapacitors: materials, systems, and applications”, Editors: François Béguin and Elzbieta Frackowiak; Wiley-VCH: 2012, in press, (Invited contribution).
31. J. Huang, B. G. Sumpter, V. Meunier, “Chapter 8. A universal model for nanoporous carbon supercapacitors” in “Mesoporous materials: properties, preparation and applications”, Editor: Lynn T. Burness; Nova Publishers: 2009, 177-190. (Invited contribution).
Conference Proceedings
32. A. Lopez-Bezanilla, J. Huang, H. Terrones, B. G. Sumpter, “Electronic structure calculations on edge-functionalized armchair boron nitride nanoribbons”, DOE’s Science Discovery through Advanced Computing (SciDAC), 2011, submitted for review.
33. V. Meunier, J. Huang, G. Feng, R. Qiao, B. G. Sumpter, “Modern theories of carbon-based electrochemical capacitors: a short review”, ASME International Mechanical Engineering Congress & Exposition, 2010, draft paper accepted on 7/22/2010 (Paper Number: IMECE2010-41003).
34. G. Feng, R. Qiao, J. Huang, B. G. Sumpter, V. Meunier, “Computational modeling of carbon nanostructures for energy storage applications”, IEEE Nano Proceeding, 2010, full paper accepted.
35. J. Huang, B. G. Sumpter, V. Meunier, “Capacitor models for various regimes, carbons, and electrolytes”, Proceedings of the 2009 Advanced Automotive Battery and Capacitor Conference (AABC-09), Jun. 2009, Long Beach, CA.