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Nenian Charles - Publications

Affiliations: 
2012-2017 Chemistry Northwestern University, Evanston, IL 
 2017- Mechanical Engineering Massachusetts Institute of Technology, Cambridge, MA, United States 
Area:
Computational Materials Science
Website:
https://www.linkedin.com/in/nenian-charles-1b6446ba
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15 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Ding F, Charles N, Harada JK, Malliakas CD, Zhang C, Dos Reis R, Griffith KJ, Nisbet ML, Zhang W, Halasyamani PS, Dravid VP, Rondinelli JM, Poeppelmeier KR. Perovskite-like KTiOF Exhibits (3 + 1)-Dimensional Commensurate Structure Induced by Octahedrally Coordinated Potassium Ions. Journal of the American Chemical Society. 143: 18907-18916. PMID 34729984 DOI: 10.1021/jacs.1c05704  0.702
2020 Charles N, Yu Y, Giordano L, Jung R, Maglia F, Shao-Horn Y. Toward Establishing Electronic and Phononic Signatures of Reversible Lattice Oxygen Oxidation in Lithium Transition Metal Oxides For Li-Ion Batteries Chemistry of Materials. 32: 5502-5514. DOI: 10.1021/Acs.Chemmater.0C00245  0.584
2019 Yu Y, Karayaylali P, Nowak SH, Giordano L, Gauthier M, Hong W, Kou R, Li Q, Vinson J, Kroll T, Sokaras D, Sun CJ, Charles N, Maglia F, Jung R, et al. Revealing Electronic Signature of Lattice Oxygen Redox in Lithium Ruthenates and Implications for High-Energy Li-ion Battery Material Designs. Chemistry of Materials : a Publication of the American Chemical Society. 31. PMID 32210521 DOI: 10.1021/Acs.Chemmater.9B01821  0.583
2019 Harada JK, Charles N, Poeppelmeier KR, Rondinelli JM. Heteroanionic Materials by Design: Progress Toward Targeted Properties. Advanced Materials (Deerfield Beach, Fla.). e1805295. PMID 30861235 DOI: 10.1002/Adma.201805295  0.648
2019 Giordano L, Østergaard TM, Muy S, Yu Y, Charles N, Kim S, Zhang Y, Maglia F, Jung R, Lund I, Rossmeisl J, Shao-Horn Y. Ligand-Dependent Energetics for Dehydrogenation: Implications in Li-Ion Battery Electrolyte Stability and Selective Oxidation Catalysis of Hydrogen-Containing Molecules Chemistry of Materials. 31: 5464-5474. DOI: 10.1021/Acs.Chemmater.9B00767  0.683
2019 Hwang J, Feng Z, Charles N, Wang XR, Lee D, Stoerzinger KA, Muy S, Rao RR, Lee D, Jacobs R, Morgan D, Shao-Horn Y. Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro)catalysis and ferroelectricity Materials Today. 31: 100-118. DOI: 10.1016/J.Mattod.2019.03.014  0.711
2019 Wustrow A, Hancock JC, Holland M, Charles N, Rondinelli JM, Poeppelmeier KR. Two closely related polymorphs of ammonium trifluorooxovanadate Journal of Solid State Chemistry. 276: 261-265. DOI: 10.1016/J.Jssc.2019.05.013  0.62
2019 Harada JK, Charles N, Poeppelmeier KR, Rondinelli JM. Materials Design: Heteroanionic Materials by Design: Progress Toward Targeted Properties (Adv. Mater. 19/2019) Advanced Materials. 31: 1970134. DOI: 10.1002/Adma.201970134  0.588
2018 Han B, Grimaud A, Giordano L, Hong WT, Diaz-Morales O, Yueh-Lin L, Hwang J, Charles N, Stoerzinger KA, Yang W, Koper MTM, Shao-Horn Y. Iron-Based Perovskites for Catalyzing Oxygen Evolution Reaction The Journal of Physical Chemistry C. 122: 8445-8454. DOI: 10.1021/Acs.Jpcc.8B01397  0.7
2018 Charles N, Saballos RJ, Rondinelli JM. Structural Diversity from Anion Order in Heteroanionic Materials Chemistry of Materials. 30: 3528-3537. DOI: 10.1021/Acs.Chemmater.8B01336  0.598
2017 Gou G, Charles N, Shi J, Rondinelli JM. A-Site Ordered Double Perovskite CaMnTi2O6 as a Multifunctional Piezoelectric and Ferroelectric-Photovoltaic Material. Inorganic Chemistry. PMID 28891640 DOI: 10.1021/Acs.Inorgchem.7B01854  0.555
2016 Holland M, Charles N, Rondinelli JM, Poeppelmeier KR. Reconstructive Transitions from Rotations of Rigid Heteroanionic Polyhedra. Journal of the American Chemical Society. PMID 27532822 DOI: 10.1021/Jacs.6B06813  0.683
2016 Charles N, Rondinelli JM. Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles Physical Review B. 94. DOI: 10.1103/Physrevb.94.174108  0.572
2015 Charles N, Rondinelli JM. Ferroelectricity ind0double perovskite fluoroscandates Physical Review B. 92. DOI: 10.1103/Physrevb.92.054111  0.493
2014 Charles N, Rondinelli JM. Microscopic origin of pressure-induced isosymmetric transitions in fluoromanganate cryolites Physical Review B. 90. DOI: 10.1103/Physrevb.90.094114  0.512
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