Nanomaterials - Energy Storage and Conversion:

  • P. Priya and N. R. Aluru, ``A multiscale framework to predict electrochemical characteristics of yttrium doped Barium Zirconate based solid oxide cells'', Journal of Power Sources, Vol. 481, Art. No. 228969, 2021. DOI: 10.1016/j.jpowsour.2020.228969 [pdf file]

  • Y. Jing and N. R. Aluru, ``The role of A-site ion on proton diffusion in perovskite oxides (ABO3)'', Journal of Power Sources, Vol. 445, No. 1, Art. No. 227327, 2020. DOI: 10.1016/j.jpowsour.2019.227327 [pdf file]; Supporting information [pdf file]

  • B. Ouyang, T. Chakraborty, N. Kim, N. H. Perry, T. Mueller, N. R. Aluru, E. Ertekin, ``Cluster Expansion Framework for the Sr(Ti1-xFex)O3-x/2 (0 < x < 1) Mixed Ionic Electronic Conductor: Properties Based on Realistic Configurations'', Chemistry of Materials, Vol. 31, No. 9, pp. 3144-3153, 2019. DOI: 10.1021/acs.chemmater.8b04285 [pdf file]; Supporting information [pdf file]

  • T. Fujisaki, A. T. Staykov, Y. H. Jing, K. Leonard, N. R. Aluru, H. Matsumoto, ``Understanding the effect of Ce and Zr on chemical expansion in yttrium doped strontium cerate and zirconate by high temperature X-ray analysis and density functional theory'', Solid State Ionics, Vol. 333, pp. 1-8, 2019. DOI: 10.1016/j.ssi.2019.01.009 [pdf file]

  • M. Asadi, M. H. Motevaselian, A. Moradzadeh, L. Majidi, M. Esmaeilirad, T. Sun, C. Liu, R. Bose, P. Abbasi, P. Zapol, A. P. Khodadoust, L. A. Curtiss, N. R. Aluru, A. Salehi-Khojin, ``Highly Efficient Solar-Driven Carbon Dioxide Reduction on Molybdenum Disulfide Catalyst Using Choline Chloride-Based Electrolyte'', Advanced Energy Materials, Vol. 9, No. 9, Art. No. 1803536, 2019. DOI: 10.1002/aenm.201803536 [pdf file]; Supporting information [pdf file]

  • L. Ma, P. Priya and N. R. Aluru, ``A Multiscale Model for Electrochemical Reactions in LSCF Based Solid Oxide Cells'', Journal of the Electrochemical Society, Vol. 165, No. 14, pp. F1232-F1241, 2018. DOI: 10.1149/2.0921814jes [pdf file]; Supporting information [pdf file]

  • H. Niu, Y. Jing, Y. Sun and N. R. Aluru, ``Ab initio based interionic potential for silver iodide'', Solid State Ionics, Vol. 325, pp. 102-111, 2018. DOI: 10.1016/j.ssi.2018.07.027 [pdf file]

  • Y. Jing, H. Matsumoto and N. R. Aluru, ``Mechanistic Insights into Hydration of Solid Oxides'', Chemistry of Materials, Vol. 30, No. 1, pp. 138-144, 2018. DOI: 10.1021/acs.chemmater.7b03476 [pdf file]; Supporting information [pdf file]