Reset Search

2020

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
Zhou, Shuo, Chen Fang, Xiangyun Song, and Gao Liu."The influence of compact and ordered carbon coating on solid‐state behaviors of silicon during electrochemical processes."Carbon Energy (2020). 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
Mao, Jing, Xin Liu, Jianwen Liu, Heyang Jiang, Tao Zhang, Guosheng Shao, Guo Ai, Wenfeng Mao, Yan Feng, Wanli Yang, Gao Liu, and Kehua Dai."P2-type Na 2/3 Ni 1/3Mn 2/3O 2 Cathode Material with Excellent Rate and Cycling Performance for Sodium-Ion Batteries."Journal of The Electrochemical Society 166.16 (2019) A3980 - A3986. 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
Li, Ning, Sooyeon Hwang, Meiling Sun, Yanbao Fu, Vincent S Battaglia, Dong Su, and Wei Tong."Unraveling the Voltage Decay Phenomenon in Li‐Rich Layered Oxide Cathode of No Oxygen Activity."Advanced Energy Materials 9.47 (2019) 1902258. 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
Zhu, Guobin, Yuanyuan Gu, Yan Wang, Gao Liu, Vincent S Battaglia, Qunting Qu, and Honghe Zheng."Suppressing the dry bed-lake fracture of silicon anode via dispersant modification in electrode processing."Electrochimica Acta 319 (2019) 682 - 689. DOI
Yuca, Neslihan, Uner Çolak, and Gao Liu."Systematic structural characterization of high‐density porous silicon anodes in lithium‐ion batteries."Energy Storage 1.5 (2019). 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
Ai, Guo, Qianqian Hu, Liang Zhang, Kehua Dai, Jin Wang, Zijia Xu, Yu Huang, Bo Zhang, Dejun Li, Ting Zhang, Gao Liu, and Wenfeng Mao."Investigation of the Nanocrystal CoS2 Embedded in 3D Honeycomb-like Graphitic Carbon with a Synergistic Effect for High-Performance Lithium Sulfur Batteries."ACS Applied Materials & Interfaces 11.37 (2019) 33987 - 33999. DOI
Heng, Shuai, Yan Wang, Qunting Qu, Ruitian Guo, Xiaojian Shan, Vincent S Battaglia, Gao Liu, and Honghe Zheng."Fluoro-Ether as a Bifunctional Interphase Electrolyte Additive with Graphite/LiNi0.5Co 0.2Mn0.3O2 Full Cell."ACS Applied Energy Materials 2.9 (2019) 6404 - 6416. DOI
Fang, Chen, Guangzhao Zhang, Jonathan Lau, and Gao Liu."Recent advances in polysulfide mediation of lithium-sulfur batteries via facile cathode and electrolyte modification."APL Materials 7.8 (2019) 080902. 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
Weston, L, V Tshitoyan, John Dagdelen, O Kononova, A Trewartha, Kristin A Persson, G Ceder, and Anubhav Jain."Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature."Journal of Chemical Information and Modeling 59.9 (2019) 3692 - 3702. DOI
Hong, Ye, Wenfeng Mao, Qianqian Hu, Shiyong Chang, Dejun Li, Jingbo Zhang, Gao Liu, and Guo Ai."Nitrogen-doped carbon coated SnO2 nanoparticles embedded in a hierarchical porous carbon framework for high-performance lithium-ion battery anodes."Journal of Power Sources 428 (2019) 44 - 52. DOI
Ganose, Alex, and Anubhav Jain."Robocrystallographer: automated crystal structure text descriptions and analysisAbstract."MRS Communications 9.3 (2019) 874 - 881. DOI