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]