Publications by Research Area
Publications
Publications by Division
2022
Demarteau, Jérémy, Alexander R. Epstein, Peter R. Christensen, Mark Abubekerov, Hai Wang, Simon J. Teat, Trevor J. Seguin, Christopher W. Chan, Corinne D. Scown, Thomas P. Russell, Jay D. Keasling, Kristin A. Persson, and Brett A. Helms."Circularity in mixed-plastic chemical recycling enabled by variable rates of polydiketoenamine hydrolysis."Science Advances
8.29 (2022). DOI
2021
Ringsby, Alexandra J., Kara D. Fong, Julian Self, Helen K. Bergstrom, Bryan D. McCloskey, and Kristin A. Persson."Transport Phenomena in Low Temperature Lithium-Ion Battery Electrolytes."Journal of The Electrochemical Society
168.8 (2021) 080501. DOI
Fong, Kara D., Julian Self, Bryan D. McCloskey, and Kristin A. Persson."Ion Correlations and Their Impact on Transport in Polymer-Based Electrolytes."Macromolecules
54.6 (2021) 2575 - 2591. DOI
2020
Todd, Paul K., Allison Wustrow, Rebecca D. McAuliffe, Matthew J. McDermott, Gia Thinh Tran, Brennan C. McBride, Ethan D. Boeding, Daniel O’Nolan, Chia-Hao Liu, Shyam S. Dwaraknath, Karena W. Chapman, Simon J.L. Billinge, Kristin A. Persson, Ashfia Huq, Gabriel M. Veith, and James R. Neilson."Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO 3Polymorphs."Inorganic Chemistry
59.18 (2020) 13639 - 13650. DOI
Cheng, Jianli, Eric Sivonxay, and Kristin A. Persson."Evaluation of Amorphous Oxide Coatings for High-Voltage Li-Ion Battery Applications Using a First-Principles Framework."ACS Applied Materials & Interfaces
12.31 (2020) 35748 - 35756. DOI
Ling, Handong, Shyam S. Dwaraknath, and Kristin A. Persson."Origin of Disorder Tolerance in Piezoelectric Materials and Design of Polar Systems."Chemistry of Materials
32.7 (2020) 2836 - 2842. DOI
Mrdjenovich, David, Matthew K. Horton, Joseph H. Montoya, Christian M. Legaspi, Shyam Dwaraknath, Vahe Tshitoyan, Anubhav Jain, and Kristin A. Persson."propnet: A Knowledge Graph for Materials Science."Matter
2.2 (2020) 464 - 480. DOI
Lin, Shuren, Zixuan Fang, Tingzheng Hou, Ting Wan Hsu, Chi H. So, Cher Yeoh, Roger Li, Yin Liu, Emory M. Chan, Yu-Lun Chueh, Bin Tang, Kristin A. Persson, and Jie Yao."Tunable valleytronics with symmetry-retaining high polarization degree in SnS x Se 1−x model system."Applied Physics Letters
116.6 (2020) 061105. DOI
Gonze, Xavier, Bernard Amadon, Gabriel Antonius, Frédéric Arnardi, Lucas Baguet, Jean-Michel Beuken, Jordan Bieder, François Bottin, Johann Bouchet, Eric Bousquet, Nils Brouwer, Fabien Bruneval, Guillaume Brunin, Théo Cavignac, Jean-Baptiste Charraud, Wei Chen, Michel Côté, Stefaan Cottenier, Jules Denier, Grégory Geneste, Philippe Ghosez, Matteo Giantomassi, Yannick Gillet, Olivier Gingras, Donald R. Hamann, Geoffroy Hautier, Xu He, Nicole Helbig, Natalie Holzwarth, Yongchao Jia, François Jollet, William Lafargue-Dit-Hauret, Kurt Lejaeghere, Miguel A.L. Marques, Alexandre Martin, Cyril Martins, Henrique P.C. Miranda, Francesco Naccarato, Kristin A. Persson, Guido Petretto, Valentin Planes, Yann Pouillon, Sergei Prokhorenko, Fabio Ricci, Gian-Marco Rignanese, Aldo H. Romero, Michael Marcus Schmitt, Marc Torrent, Michiel J. van Setten, Benoit Van Troeye, Matthieu J. Verstraete , Gilles Zérah, and Josef W. Zwanziger."The Abinitproject: Impact, environment and recent developments."Computer Physics Communications
248 (2020) 107042. DOI
He, Changfei, Peter R. Christensen, Trevor J. Seguin, Eric A. Dailing, Brandon M. Wood, Rebecca K. Walde, Kristin A. Persson, Thomas P. Russell, and Brett A. Helms."Conformational Entropy as a Means to Control the Behavior of Poly(diketoenamine) Vitrimers In and Out of Equilibrium."Angewandte Chemie International Edition
59.2 (2020) 735 - 739. DOI
Cooley, Joya A., Matthew K. Horton, Emily E. Levin, Saul H. Lapidus, Kristin A. Persson, and Ram Seshadri."From Waste-Heat Recovery to Refrigeration: Compositional Tuning of Magnetocaloric Mn 1+ x Sb."Chemistry of Materials
32.3 (2020) 1243 - 1249. DOI
Sivonxay, Eric, Muratahan Aykol, and Kristin A. Persson."The lithiation process and Li diffusion in amorphous."Electrochimica Acta
331 (2020) 135344. DOI
Borodin, Oleg, Julian Self, Kristin A. Persson, Chunsheng Wang, and Kang Xu."Uncharted Waters: Super-Concentrated Electrolytes."Joule
4.1 (2020) 69 - 100. DOI
Zheng, Hui, Xiang-Guo Li, Richard Tran, Chi Chen, Matthew Horton, Donald Winston, Kristin A. Persson, and Shyue Ping Ong."Grain boundary properties of elemental metals."Acta Materialia
186 (2020) 40 - 49. DOI
Wang, Hui, Xuefei Feng, Ying Chen, Yi-Sheng Liu, Kee Sung Han, Mingxia Zhou, Mark H. Engelhard, Vijayakumar Murugesan, Rajeev S. Assary, Tianbiao Leo Liu, Wesley Henderson, Zimin Nie, Meng Gu, Jie Xiao, Chongmin Wang, Kristin A. Persson, Donghai Mei, Ji-Guang Zhang, Karl T. Mueller, Jinghua Guo, Kevin Zavadil, Yuyan Shao, and Jun Liu."Reversible Electrochemical Interface of Mg Metal and Conventional Electrolyte Enabled by Intermediate Adsorption."ACS Energy Letters
5.1 (2020) 200 - 206. DOI
Woods-Robinson, Rachel, Yanbing Han, Hanyu Zhang, Tursun Ablekim, Imran Sheikh, Kristin A. Persson, and Andriy Zakutayev."Wide Band Gap Chalcogenide Semiconductors."Chemical Reviews
(2020). DOI
2006
Persson, Kristin A., Amelia Bengtson, Gerbrand Ceder, and Dane Morgan."Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg1-x,Fex)O system."Geophysical Research Letters
33 (2006).
Persson, Kristin A., Gerbrand Ceder, and Dane Morgan."Spin transitions in the FexMn1-xS2 system."Physical Review B
73 (2006).
2000
Ekman, Mathias, Kristin A. Persson, and Goran Grimvall."Lattice dynamics and thermodynamic properties of the B-Sn phase in Si."Physical Review B
62 (2000) 14784-14789.
Persson, Kristin A., Mathias Ekman, and Vidvuds Ozoliņš."Phonon instabilities in bcc Sc, Ti, La, and Hf."Physical Review B
61 (2000) 11221-11224.
Ekman, Mathias, Kristin A. Persson, and Goran Grimvall."Phase diagram and lattice instability in tungsten-rhenium alloys."Journal of Nuclear Materials
278 (2000) 273-276.
1999
Persson, Kristin A., Mathias Ekman, and Goran Grimvall."Dynamical and thermodynamical instabilities in the disordered RexW1-x system."Physical Review B
60 (1999) 9999-10007.
1998
Ekman, Mathias, Babak Sadigh, Kristin Einarsdotter, Peter Blaha, and Kristin A. Persson."Ab initio study of the martensitic bcc-hcp transformation in iron."Physical Review B
58.9 (1998) 5296 - 5304. DOI
1997
Einarsdotter, Kristin, Babak Sadigh, Goran Grimvall, Vidvuds Ozoliņš, and Kristin A. Persson."Phonon Instabilities in fcc and bcc Tungsten."Physical Review Letters
79.11 (1997) 2073 - 2076. DOI