Fernando Soto

Affiliate Researcher
Titles and Affiliations
Assistant Professor of Energy Engineering, Penn State Greater Allegheny

My research involves applying an integrative in silico approach, including first-principles calculations and atomistic-based simulations to gain a fundamental understanding of the interfacial region in multi-valent battery technologies, multi-functional materials for energy, catalysis, and sustainability applications.

In the News

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Recent Publications

Emulating synaptic behavior in surface-functionalized MoS2 through modulation of interfacial charge transfer via external stimuli

Soto, F. A., Balbuena, P. B., Banerjee, S. & Fang, L., Sep 23 2022, In: Physical Chemistry Chemical Physics. 24, 39, p. 24116-24122 7 p.

Research output: Contribution to journalArticlepeer-review

Highly Reversible Aqueous Zinc Batteries enabled by Zincophilic–Zincophobic Interfacial Layers and Interrupted Hydrogen-Bond Electrolytes

Cao, L., Li, D., Soto, F. A., Ponce, V., Zhang, B., Ma, L., Deng, T., Seminario, J. M., Hu, E., Yang, X. Q., Balbuena, P. B. & Wang, C., Aug 16 2021, In: Angewandte Chemie - International Edition. 60, 34, p. 18845-18851 7 p.

Research output: Contribution to journalArticlepeer-review

The passivity of lithium electrodes in liquid electrolytes for secondary batteries

He, X., Bresser, D., Passerini, S., Baakes, F., Krewer, U., Lopez, J., Mallia, C. T., Shao-Horn, Y., Cekic-Laskovic, I., Wiemers-Meyer, S., Soto, F. A., Ponce, V., Seminario, J. M., Balbuena, P. B., Jia, H., Xu, W., Xu, Y., Wang, C., Horstmann, B., Amine, R., & 6 othersSu, C. C., Shi, J., Amine, K., Winter, M., Latz, A. & Kostecki, R., Nov 2021, In: Nature Reviews Materials. 6, 11, p. 1036-1052 17 p.

Research output: Contribution to journalReview articlepeer-review

Enhancing Hydrogen Evolution Activity of Monolayer Molybdenum Disulfide via a Molecular Proton Mediator

Liu, X., Li, B., Soto, F. A., Li, X., Unocic, R. R., Balbuena, P. B., Harutyunyan, A. R., Hone, J. & Esposito, D. V., Oct 1 2021, In: ACS Catalysis. 11, 19, p. 12159-12169 11 p.

Research output: Contribution to journalArticlepeer-review

Large areal capacity and dendrite-free anodes with long lifetime enabled by distributed lithium plating with mossy manganese oxides

Tan, J., Soto, F. A., Noh, J., Wu, P., Yadav, D. R., Xie, K., Balbuena, P. B. & Yu, C., Apr 14 2021, In: Journal of Materials Chemistry A. 9, 14, p. 9291-9300 10 p.

Research output: Contribution to journalArticlepeer-review

Anti-Oxygen Leaking LiCoO2

Sharifi-Asl, S., Soto, F. A., Foroozan, T., Asadi, M., Yuan, Y., Deivanayagam, R., Rojaee, R., Song, B., Bi, X., Amine, K., Lu, J., Salehi-khojin, A., Balbuena, P. B. & Shahbazian-Yassar, R., Jun 6 2019, In: Advanced Functional Materials. 29, 23, 1901110.

Research output: Contribution to journalArticlepeer-review

Atomistic Simulations of the Reactivity of Acanthite Facets toward Cyanidation

Soto, F. A., Bernaola-Flores, R., Rodriguez-Reyes, J. C. F., Balbuena, P. B. & Tarazona-Vasquez, F., May 9 2019, In: Journal of Physical Chemistry C. 123, 18, p. 11888-11898 11 p.

Research output: Contribution to journalArticlepeer-review

Localized high concentration electrolyte behavior near a lithium-metal anode surface

Zheng, Y., Soto, F. A., Ponce, V., Seminario, J. M., Cao, X., Zhang, J. G. & Balbuena, P. B., 2019, In: Journal of Materials Chemistry A. 7, 43, p. 25047-25055 9 p.

Research output: Contribution to journalArticlepeer-review

Synergistic Effect of Graphene Oxide for Impeding the Dendritic Plating of Li

Foroozan, T., Soto, F. A., Yurkiv, V., Sharifi-Asl, S., Deivanayagam, R., Huang, Z., Rojaee, R., Mashayek, F., Balbuena, P. B. & Shahbazian-Yassar, R., Apr 11 2018, In: Advanced Functional Materials. 28, 15, 1705917.

Research output: Contribution to journalArticlepeer-review

Fluoroethylene Carbonate as a Directing Agent in Amorphous Silicon Anodes: Electrolyte Interface Structure Probed by Sum Frequency Vibrational Spectroscopy and Ab Initio Molecular Dynamics

Horowitz, Y., Han, H. L., Soto, F. A., Ralston, W. T., Balbuena, P. B. & Somorjai, G. A., Feb 14 2018, In: Nano letters. 18, 2, p. 1145-1151 7 p.

Research output: Contribution to journalArticlepeer-review

Unveiling the First Nucleation and Growth Steps of Inorganic Solid Electrolyte Interphase Components

Marzouk, A., Ponce, V., Benitez, L., Soto, F. A., Hankins, K., Seminario, J. M., Balbuena, P. B. & El-Mellouhi, F., Nov 15 2018, In: Journal of Physical Chemistry C. 122, 45, p. 25858-25868 11 p.

Research output: Contribution to journalArticlepeer-review

Understanding Ionic Diffusion through SEI Components for Lithium-Ion and Sodium-Ion Batteries: Insights from First-Principles Calculations

Soto, F. A., Marzouk, A., El-Mellouhi, F. & Balbuena, P. B., May 22 2018, In: Chemistry of Materials. 30, 10, p. 3315-3322 8 p.

Research output: Contribution to journalArticlepeer-review

Lithium-Pretreated Hard Carbon as High-Performance Sodium-Ion Battery Anodes

Xiao, B., Soto, F. A., Gu, M., Han, K. S., Song, J., Wang, H., Engelhard, M. H., Murugesan, V., Mueller, K. T., Reed, D., Sprenkle, V. L., Balbuena, P. B. & Li, X., Aug 27 2018, In: Advanced Energy Materials. 8, 24, 1801441.

Research output: Contribution to journalArticlepeer-review

Insights into the Li intercalation and SEI formation on LiSi nanoclusters

Hankins, K., Soto, F. A. & Balbuena, P. B., 2017, In: Journal of the Electrochemical Society. 164, 11, p. E3457-E3464

Research output: Contribution to journalArticlepeer-review

Dynamics of the lithiation and sodiation of silicon allotropes: From the bulk to the surface

Marzouk, A., Soto, F. A., Burgos, J. C., Balbuena, P. B. & El-Mellouhi, F., 2017, In: Journal of the Electrochemical Society. 164, 7, p. A1644-A1650

Research output: Contribution to journalArticlepeer-review