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Jiahong Shen

Research Interests

First-principles studies on Thermoelectrics (BiCuSeO, GeTe, etc.)

First-principles studies on mixed anions

Discovering new materials using High-Throughput DFT calculations

Current Research

Jiahong's current research focuses on discovering new mixed anion materials. Due to the absence of two anions compounds, the state-of-the-art High-Throughput DFT calculations provide an efficient way to unveil the secret in these compounds. Mixed anion materials have a wide range of potential applications (e.g. BiCuSeO for its thermoelectric application), and thus are of general interest for both theoretical and experimental research.


Fudan University, BS, Materials Science, 2013-2017


C. Chen, J. Avila, H. Arezki, V. L. Nguyen, J. Shen, M. M. Kruczynski, F. Yao, M. Boutchich, Y. Chen, Y. H. Lee and M. C. Asensio, "Large local lattice expansion in graphene adlayers grown on copper", Nature Materials, 2018, 17, 450-455

J. Li, X. Zhang, Z. Chen, S. Lin, J. Shen, I. T. Witting, A. Faghaninia, Y. Chen, A. Jain, L. Chen, G. J. Snyder and Y. Pei, "Low-symmetry Rhombohedral GeTe Thermoelectrics", Joule, 2018, in press

J. Shen, H. Yu, Y. Pei, and Y. Chen, "Resonant doping in BiCuSeO Thermoelectrics from first principles", J. Mater. Chem. A, 2017, 5, 931-936

J. Shen, and Y. Chen, "Silicon as an unexpected n-type dopant in BiCuSeO Thermoelectrics", ACS Appl. Mater. Interfaces, 2017, 9, 27372-27376

Research Experience

  • Undergraduate Exchange Program & Research Assistant, University of Hong Kong, 2015

Advisor: Dr. Yue Chen. Project: First-principles studies on Thermoelectrics

  • International Summer Undergraduate Research Experience (iSURE), University of Notre Dame, 2016

Advisor: Dr. Jonathan K. Whitmer. Project: Elastic Properties of Fluctuating Membranes