• 493 Citations
  • 9 h-Index
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Personal profile

Research interests

Condensed Matter Physics

Density Functional Theory

Solar energy conversion


Education/Academic qualification

PhD, Rutgers - The State University of New Jersey, New Brunswick


Fingerprint Dive into the research topics where SEBASTIAN REYES LILLO is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

Antiferroelectricity Chemical Compounds
Ferroelectricity Chemical Compounds
antiferroelectricity Physics & Astronomy
Density functional theory Chemical Compounds
Iodides Chemical Compounds
Ferroelectric materials Chemical Compounds
Thin films Chemical Compounds
ferroelectricity Physics & Astronomy

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Research Output 2013 2019

  • 493 Citations
  • 9 h-Index
  • 17 Article
4 Citations (Scopus)

Electronic Structure and Performance Bottlenecks of CuFeO 2 Photocathodes

Jiang, C. M., Reyes-Lillo, S. E., Liang, Y., Liu, Y. S., Liu, G., Toma, F. M., Prendergast, D., Sharp, I. D. & Cooper, J. K., 9 Apr 2019, In : Chemistry of Materials. 31, 7, p. 2524-2534 11 p.

Research output: Contribution to journalArticle

Electronic structure
Inelastic scattering
X ray absorption
1 Citation (Scopus)

Ferroelectricity in [111]-oriented epitaxially strained SrTiO3 from first principles

Reyes-Lillo, S. E., Rabe, K. M. & Neaton, J. B., 6 Mar 2019, In : Physical Review Materials. 3, 3, 030601.

Research output: Contribution to journalArticle

free energy
density functional theory
6 Citations (Scopus)

Combinatorial alloying improves bismuth vanadate photoanodes: Via reduced monoclinic distortion

Newhouse, P. F., Guevarra, D., Umehara, M., Reyes-Lillo, S. E., Zhou, L., Boyd, D. A., Suram, S. K., Cooper, J. K., Haber, J. A., Neaton, J. B. & Gregoire, J. M., 1 Sep 2018, In : Energy and Environmental Science. 11, 9, p. 2444-2457 14 p.

Research output: Contribution to journalArticle

Chemical analysis
39 Citations (Scopus)

Electron delocalization and charge mobility as a function of reduction in a metal–organic framework

Aubrey, M. L., Wiers, B. M., Andrews, S. C., Sakurai, T., Reyes-Lillo, S. E., Hamed, S. M., Yu, C. J., Darago, L. E., Mason, J. A., Baeg, J. O., Grandjean, F., Long, G. J., Seki, S., Neaton, J. B., Yang, P. & Long, J. R., 4 Jun 2018, (Accepted/In press) In : Nature Materials. p. 1-8 8 p.

Research output: Contribution to journalArticle

Field effect transistors
field effect transistors
27 Citations (Scopus)

Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite

Park, M., Neukirch, A. J., Reyes-Lillo, S. E., Lai, M., Ellis, S. R., Dietze, D., Neaton, J. B., Yang, P., Tretiak, S. & Mathies, R. A., 1 Dec 2018, In : Nature Communications. 9, 1, 2525.

Research output: Contribution to journalArticle

Gene Conversion
Excited states
Wave packets