Publications

X Author: Kristin A. Persson

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(link is external)

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(link is external)
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(link is external)

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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
Sivonxay, Eric, Muratahan Aykol, and Kristin A. Persson."The lithiation process and Li diffusion in amorphous."Electrochimica Acta 331 (2020) 135344. DOI(link is external)
Borodin, Oleg, Julian Self, Kristin A. Persson, Chunsheng Wang, and Kang Xu."Uncharted Waters: Super-Concentrated Electrolytes."Joule 4.1 (2020) 69 - 100. DOI(link is external)
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(link is external)
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(link is external)
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(link is external)

2019

Waroquiers, David, Janine George, Matthew Horton, Stephan Schenk, Kristin A. Persson, Gian-Marco Rignanese, Xavier Gonze, and Geoffroy Hautier."ChemEnv : A Fast and Robust Coordination Environment Identification Too." (2019). DOI(link is external)
Self, Julian, Kara D. Fong, and Kristin A. Persson."Transport in Superconcentrated LiPF 6 and LiBF 4 Propylene Carbonate Electrolytes."ACS Energy Letters 4.12 (2019) 2843 - 2849. DOI(link is external)
Woods-Robinson, Rachel, Yanbing Han, John S. Mangum, Celeste L. Melamed, Brian P. Gorman, Apurva Mehta, Kristin A. Persson, and Andriy Zakutayev."Combinatorial Tuning of Structural and Optoelectronic Properties in Cu Zn1−S."Matter 1.4 (2019) 862 - 880. DOI(link is external)
Patel, Anjli M., Jens K. Nørskov, Kristin A. Persson, and Joseph H. Montoya."Efficient Pourbaix diagrams of many-element compounds."Physical Chemistry Chemical Physics 21.45 (2019) 25323 - 25327. DOI(link is external)
Self, Julian, Kara D. Fong, E. R. Logan, and Kristin A. Persson."Ion Association Constants for Lithium Ion Battery Electrolytes from First-Principles Quantum Chemistry."Journal of The Electrochemical Society 166.15 (2019) A3554 - A3558. DOI(link is external)
Stern, Rebecca D., Danielle C. Hutchison, Morgan R. Olsen, Lev N. Zakharov, May Nyman, Kristin A. Persson, Kurt G. Ronse, Paolo A. Gargini, Patrick P. Naulleau, and Toshiro Itani."Alkyltin Keggin clusters as EUVL photoresist technology."International Conference on Extreme Ultraviolet Lithography 2019International Conference on Extreme Ultraviolet Lithography 2019 (2019). DOI(link is external)
Tran, Richard, Xiang-Guo Li, Joseph H. Montoya, Donald Winston, Kristin A. Persson, and Shyue Ping Ong."Anisotropic work function of elemental crystals."Surface Science 687 (2019) 48 - 55. DOI(link is external)
Cai, Yao, Wei Xie, Yin Ting Teng, P.C. Harikesh, Biplab Ghosh, Patrick Huck, Kristin A. Persson, Nripan Mathews, Subodh G. Mhaisalkar, Matthew Sherburne, and Mark D. Asta."High-throughput Computational Study of Halide Double Perovskite Inorganic Compounds."Chemistry of Materials (2019). DOI(link is external)
Hou, Tingzheng, Guang Yang, Nav Nidhi Rajput, Julian Self, Sang-Won Park, Jagjit Nanda, and Kristin A. Persson."The influence of FEC on the solvation structure and reduction reaction of LiPF6/EC electrolytes and its implication for solid electrolyte interphase formation."Nano Energy 64 (2019) 103881. DOI(link is external)