ismaila dabo

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Associate Professor

Pennsylvania State University

United States

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About

Ismaila Dabo is an Associate Professor at Pennsylvania State University in the United States. His research areas include the performance of exchange-correlation approximations in density functional theory, thermodynamic theory of ferroelectrics, and the exploration of photoelectrochemical responses in metal sulfides. He has contributed significantly to the understanding of electrochemical oxidation processes and the stability of oxide materials through advanced simulations and modeling techniques.

Recent Grants

Grant: Close

A Symmetry-Based Approach to Minimum Energy Pathways

Open Date: 2018-07-01

Close Date: 2021-06-30

Grant: Close

DMREF: INFEWS: Collaborative Research: Photocatalyst by Design: Computational Screening of Reconstructed Perovskite Semiconductor Electrodes for Efficient Solar-to-Fuel Conversion

Open Date: 2017-10-01

Close Date: 2020-09-30

Grant: Close

CAREER: Large-scale quantum-continuum simulation of layered metal oxide semiconductor photoelectrodes under finite-temperature electrochemical conditions

Open Date: 2017-02-01

Close Date: 2022-01-31

Articles (17)

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UNITED STATES

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Raymond E. Schaak

Pennsylvania State University

UNITED STATES

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Bladimir Ramos-Alvarado

Assistant Professor

The Pennsylvania State University - University Park Campus

UNITED STATES

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Pennsylvania State University

UNITED STATES

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ismaila dabo

Research Interests

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About

Recent Grants

Articles (17)

Performance of exchange-correlation approximations to density functional theory for rare-earth oxides

Thermodynamic theory of linear optical and electro-optical properties of ferroelectrics

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Cluster expansion by transfer learning for phase stability predictions

High temperature stability of entropy-stabilized oxide (MgCoNiCuZn)0.2O in air

ReaxFF Reactive Force Field for Exploring Electronically Switchable Polarization in Zn1–xMgxO Ferroelectric Semiconductors

Simulation of Electrochemical Oxidation in Aqueous Environments under Applied Voltage Using Classical Molecular Dynamics

Atomic-scale polarization switching in wurtzite ferroelectrics

Direct Laser Writing of Multimetal Bifunctional Catalysts for Overall Water Splitting

Thermal rectification in thin film metalattice structures: A computational study

Chemical Insights into the Formation of Metastable Zinc Cobalt Sulfide Solid-Solution Nanoparticles through Simultaneous Multi-Cation Exchange

Band Gap Narrowing in a High-Entropy Spinel Oxide Semiconductor for Enhanced Oxygen Evolution Catalysis

Using C-DFT to develop an e-ReaxFF force field for acetophenone radical anion

Predicting the Pseudocapacitive Windows for MXene Electrodes with Voltage-Dependent Cluster Expansion Models

Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps

Data-driven analysis of the electronic-structure factors controlling the work functions of perovskite oxides

First-principles study and experimental characterization of metal incorporation in germanium telluride

Collaborators (11)

Zhiqiang Mao

Elizabeth Dickey

Lauren Zarzar

Mauricio Terrones

Susan Trolier-McKinstry

Raymond E. Schaak

Bladimir Ramos-Alvarado

Suzanne E. Mohney

Saeed Almishal

Simon Gelin

Jacob Sivak

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