Publications

X Author: Kristin A Persson X Term: Applied Energy Materials Group

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
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
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
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

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
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
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
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
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
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
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
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
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
Tshitoyan, Vahe, John Dagdelen, Leigh Weston, Alexander Dunn, Ziqin Rong, Olga Kononova, Kristin A Persson, Gerbrand Ceder, and Anubhav Jain."Unsupervised word embeddings capture latent knowledge from materials science literature."Nature 571.7763 (2019) 95 - 98. DOI
Liang, Qiaohao, Shyam Dwaraknath, and Kristin A Persson."High-throughput computation and evaluation of raman spectra."Scientific Data 6.1 (2019). DOI
Horton, Matthew Kristofer, Joseph Harold Montoya, Miao Liu, and Kristin A Persson."High-throughput prediction of the ground-state collinear magnetic order of inorganic materials using Density Functional Theory."npj Computational Materials 5.1 (2019). DOI