• 444 Citations
  • 9 h-Index
20132019
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Research Output 2013 2019

  • 444 Citations
  • 9 h-Index
  • 17 Article
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Article
2019
2 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

Photocathodes
Electronic structure
Metals
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

Ferroelectricity
ferroelectricity
free energy
density functional theory
polarization
2018
5 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

bismuth
Bismuth
Alloying
Metals
Chemical analysis
33 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
modularity
Microcrystals
Electrons
22 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
Iodides
Excited states
iodides
Wave packets
13 Citations (Scopus)

Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry

Pedersen, K. S., Perlepe, P., Aubrey, M. L., Woodruff, D. N., Reyes-Lillo, S. E., Reinholdt, A., Voigt, L., Li, Z., Borup, K., Rouzières, M., Samohvalov, D., Wilhelm, F., Rogalev, A., Neaton, J. B., Long, J. R. & Clérac, R., 1 Oct 2018, In : Nature Chemistry. 10, 10, p. 1056-1061 6 p.

Research output: Contribution to journalArticle

Pyrazines
Magnets
Magnetoelectronics
Ligands
Graphene
4 Citations (Scopus)

Physical Origins of the Transient Absorption Spectra and Dynamics in Thin-Film Semiconductors: The Case of BiVO4

Cooper, J. K., Reyes-Lillo, S. E., Hess, L. H., Jiang, C. M., Neaton, J. B. & Sharp, I. D., 13 Sep 2018, In : Journal of Physical Chemistry C. 122, 36, p. 20642-20652 11 p.

Research output: Contribution to journalArticle

Absorption spectra
spectral sensitivity
Semiconductor materials
absorption spectra
Thin films
4 Citations (Scopus)

Reducing Coercive-Field Scaling in Ferroelectric Thin Films via Orientation Control

Xu, R., Gao, R., Reyes-Lillo, S. E., Saremi, S., Dong, Y., Lu, H., Chen, Z., Lu, X., Qi, Y., Hsu, S. L., Damodaran, A. R., Zhou, H., Neaton, J. B. & Martin, L. W., 22 May 2018, In : ACS Nano. 12, 5, p. 4736-4743 8 p.

Research output: Contribution to journalArticle

Ferroelectric thin films
Heterojunctions
scaling
thin films
Energy barriers
2017
16 Citations (Scopus)

Critical Role of Methylammonium Librational Motion in Methylammonium Lead Iodide (CH3NH3PbI3) Perovskite Photochemistry

Park, M., Kornienko, N., Reyes-Lillo, S. E., Lai, M., Neaton, J. B., Yang, P. & Mathies, R. A., 12 Jul 2017, In : Nano Letters. 17, 7, p. 4151-4157 7 p.

Research output: Contribution to journalArticle

librational motion
Photochemical reactions
Iodides
photochemical reactions
Perovskite
4 Citations (Scopus)

Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode

Newhouse, P. F., Reyes-Lillo, S. E., Li, G., Zhou, L., Shinde, A., Guevarra, D., Suram, S. K., Soedarmadji, E., Richter, M. H., Qu, X., Persson, K., Neaton, J. B. & Gregoire, J. M., 12 Dec 2017, In : Chemistry of Materials. 29, 23, p. 10027-10036 10 p.

Research output: Contribution to journalArticle

Bismuth
Oxides
Oxygen
Mullite
Optical band gaps
4 Citations (Scopus)

Ferroelectricity in Pb1+δZrO3 Thin Films

Gao, R., Reyes-Lillo, S. E., Xu, R., Dasgupta, A., Dong, Y., Dedon, L. R., Kim, J., Saremi, S., Chen, Z., Serrao, C. R., Zhou, H., Neaton, J. B. & Martin, L. W., 8 Aug 2017, In : Chemistry of Materials. 29, 15, p. 6544-6551 8 p.

Research output: Contribution to journalArticle

Ferroelectricity
Heterojunctions
Thin films
Ferroelectric materials
Antiferroelectricity
2016
4 Citations (Scopus)

Effects of quantum confinement on excited state properties of SrTiO3 from ab initio many-body perturbation theory

Reyes-Lillo, S. E., Rangel, T., Bruneval, F. & Neaton, J. B., 8 Jul 2016, In : Physical Review B. 94, 4, 041107.

Research output: Contribution to journalArticle

Quantum confinement
Excited states
Excitons
perturbation theory
excitons
35 Citations (Scopus)

Electric Field- and Strain-Induced Rashba Effect in Hybrid Halide Perovskites

Leppert, L., Reyes-Lillo, S. E. & Neaton, J. B., 15 Sep 2016, In : Journal of Physical Chemistry Letters. 7, 18, p. 3683-3689 7 p.

Research output: Contribution to journalArticle

perovskites
halides
Electric fields
electric fields
Epitaxial growth
145 Citations (Scopus)

Facet-dependent photovoltaic efficiency variations in single grains of hybrid halide perovskite

Leblebici, S. Y., Leppert, L., Li, Y., Reyes-Lillo, S. E., Wickenburg, S., Wong, E., Lee, J., Melli, M., Ziegler, D., Angell, D. K., Ogletree, D. F., Ashby, P. D., Toma, F. M., Neaton, J. B., Sharp, I. D. & Weber-Bargioni, A., 4 Jul 2016, In : Nature Energy. 1, 8, 16093.

Research output: Contribution to journalArticle

Perovskite
Open circuit voltage
Photocurrents
Crystal orientation
Short circuit currents
2015
63 Citations (Scopus)

Lead-free antiferroelectric: XCaZrO3-(1 - X)NaNbO3 system (0 ≤ x ≤ 0.10)

Shimizu, H., Guo, H., Reyes-Lillo, S. E., Mizuno, Y., Rabe, K. M. & Randall, C. A., 21 Jun 2015, In : Dalton Transactions. 44, 23, p. 10763-10772 10 p.

Research output: Contribution to journalArticle

Substitution reactions
Ferroelectric materials
Polarization
Antiferroelectricity
Crystal chemistry
2014
59 Citations (Scopus)

Antiferroelectricity in thin-film ZrO2 from first principles

Reyes-Lillo, S. E., Garrity, K. F. & Rabe, K. M., 13 Oct 2014, In : Physical Review B - Condensed Matter and Materials Physics. 90, 14, 140103.

Research output: Contribution to journalArticle

Antiferroelectricity
antiferroelectricity
Silicon
Dielectric properties
Ferroelectric materials
2013
30 Citations (Scopus)
Antiferroelectricity
antiferroelectricity
Ferroelectricity
ferroelectricity
ground state