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  • 2 Similar Profiles
Electronic structure Chemical Compounds
electronic structure Physics & Astronomy
Optical properties Chemical Compounds
optical properties Physics & Astronomy
Electrons Engineering & Materials Science
wurtzite Physics & Astronomy
Band structure Chemical Compounds
electronics Physics & Astronomy

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Research Output 2006 2019

Free-electron effects on the optical absorption of the hybrid perovskite CH3NH3PbI3 from first principles

Leveillee, J. & Schleife, A., Jul 19 2019, In : Physical Review B. 100, 3, 035205.

Research output: Contribution to journalArticle

Light absorption
free electrons
optical absorption

Hot-Electron-Mediated Ion Diffusion in Semiconductors for Ion-Beam Nanostructuring

Lee, C. W. & Schleife, A., Jun 12 2019, In : Nano letters. 19, 6, p. 3939-3947 9 p.

Research output: Contribution to journalArticle

Hot electrons
hot electrons
Ion beams
ion beams

Pushing the frontiers of modeling excited electronic states and dynamics to accelerate materials engineering and design

Kang, K., Kononov, A., Lee, C. W., Leveillee, J. A., Shapera, E. P., Zhang, X. & Schleife, A., Apr 1 2019, In : Computational Materials Science. 160, p. 207-216 10 p.

Research output: Contribution to journalArticle

Electronic states
Time-dependent Density Functional Theory

Revealing the Sequence-Structure-Electronic Property Relation of Self-Assembling π-Conjugated Oligopeptides by Molecular and Quantum Mechanical Modeling

Thurston, B. A., Shapera, E. P., Tovar, J. D., Schleife, A. & Ferguson, A. L., Nov 26 2019, In : Langmuir. 35, 47, p. 15221-15231 11 p.

Research output: Contribution to journalArticle

Electronic properties

Solid-State Divalent Ion Conduction in ZnPS3

Martinolich, A. J., Lee, C. W., Lu, I. T., Bevilacqua, S. C., Preefer, M. B., Bernardi, M., Schleife, A. & See, K. A., May 28 2019, In : Chemistry of Materials. 31, 10, p. 3652-3661 10 p.

Research output: Contribution to journalArticle

Divalent Cations
Positive ions
Insulating materials
Ionic conductivity