Publications

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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 AL Marques, Alexandre Martin, Cyril Martins, Henrique PC 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.
Zheng, Zhiming, Hong-Hui Wu, Haodong Liu, Qiaobao Zhang, Xin He, Sicen Yu, Victoria Petrova, Jun Feng, Robert Kostecki, Ping Liu, Dong-Liang Peng, Meilin Liu, and Ming-Sheng Wang. "Achieving Fast and Durable Lithium Storage through Amorphous FeP Nanoparticles Encapsulated in Ultrathin 3D P-Doped Porous Carbon Nanosheets." ACS Nano 14.8 (2020) 9545 - 9561.
Garg, Sahil, Mengran Li, Adam Z Weber, Lei Ge, Liye Li, Victor Rudolph, Guoxiong Wang, and Thomas E Rufford. "Advances and challenges in electrochemical CO 2 reduction processes: an engineering and design perspective looking beyond new catalyst materials." Journal of Materials Chemistry A 8.4 (2020) 1511 - 1544.
Yi, Eongyu, Hao Shen, Stephen Heywood, Judith Alvarado, Dilworth Y Parkinson, Guoying Chen, Stephen W Sofie, and Marca M Doeff. "All-Solid-State Batteries Using Rationally Designed Garnet Electrolyte Frameworks." ACS Applied Energy Materials 3.1 (2020) 170 - 175.
Zheng, Qiye, Sumanjeet Kaur, Chris Dames, and Ravi S Prasher. "Analysis and improvement of the hot disk transient plane source method for low thermal conductivity materials." International Journal of Heat and Mass Transfer 151 (2020) 119331.
Crafton, Matthew J, Yuan Yue, Tzu‐Yang Huang, Wei Tong, and Bryan D McCloskey. "Anion Reactivity in Cation‐Disordered Rocksalt Cathode Materials: The Influence of Fluorine Substitution." Advanced Energy Materials 10.35 (2020) 2001500.
Spotte‐Smith, Evan WalterCla, Peiyuan Yu, Samuel M Blau, Ravi S Prasher, and Anubhav Jain. "Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory." Journal of Computational Chemistry 41.24 (2020) 2137 - 2150.
Gehbauer, Christoph, David Blum, Taoning Wang, and Eleanor S Lee. "An assessment of the load modifying potential of model predictive controlled dynamic facades within the California context." Energy and Buildings 210 (2020) 109762.
Zhu, Jian, Soroosh Sharifi-Asl, Juan C Garcia, Hakim H Iddir, Jason R Croy, Reza Shahbazian-Yassar, and Guoying Chen. "Atomic-Level Understanding of Surface Reconstruction Based on Li[NixMnyCo1–xy]O2 Single-Crystal Studies." ACS Applied Energy Materials 3.5 (2020) 4799 - 4811.
Smidt, Tess E, Stephanie A Mack, Sebastian E Reyes-Lillo, Anubhav Jain, and Jeffrey B Neaton. "An automatically curated first-principles database of ferroelectrics." Scientific Data 7.1 (2020).
2019
Garg, Sahil, Mengran Li, Adam Z Weber, Lei Ge, Liye Li, Victor Rudolph, Guoxiong Wang, and Thomas E Rufford. "Advances and challenges in electrochemical CO 2 reduction processes: an engineering and design perspective looking beyond new catalyst materials." Journal of Materials Chemistry A 8.4 (2019) 1511 - 1544.
Agbo, Peter, and Nemanja Danilovic. "An Algorithm for the Extraction of Tafel Slopes." The Journal of Physical Chemistry C 123.50 (2019) 30252 - 30264.
Agbo, Peter, and Nemanja Danilovic. "An Algorithm for the Extraction of Tafel Slopes." The Journal of Physical Chemistry C 123.50 (2019) 30252 - 30264.
Stern, Rebecca D, Danielle C Hutchison, Morgan R Olsen, Lev N Zakharov, May Nyman, and Kristin A Persson. "Alkyltin Keggin clusters as EUVL photoresist technology." International Conference on Extreme Ultraviolet Lithography 2019International Conference on Extreme Ultraviolet Lithography 2019. Ed. Ronse, Kurt G, Paolo A Gargini, Patrick P Naulleau, and Toshiro Itani. Monterey, United States: SPIE, 2019.
Gerhardt, Michael R, Lalit M Pant, and Adam Z Weber. "Along-the-Channel Impacts of Water Management and Carbon-Dioxide Contamination in Hydroxide-Exchange-Membrane Fuel Cells: A Modeling Study." Journal of The Electrochemical Society 166.7 (2019) F3180 - F3192.
Gerhardt, Michael R, Lalit M Pant, and Adam Z Weber. "Along-the-Channel Impacts of Water Management and Carbon-Dioxide Contamination in Hydroxide-Exchange-Membrane Fuel Cells: A Modeling Study." Journal of The Electrochemical Society 166.7 (2019) F3180 - F3192.
Pant, Lalit M, Michael R Gerhardt, Natalia Macauley, Rangachary Mukundan, Rodney L Borup, and Adam Z Weber. "Along-the-channel modeling and analysis of PEFCs at low stoichiometry: Development of a 1+2D model." Electrochimica Acta 326 (2019) 134963.
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.
Lin, Ruoqian, Enyuan Hu, Mingjie Liu, Yi Wang, Hao Cheng, Jinpeng Wu, Jin-Cheng Zheng, Qin Wu, Seongmin Bak, Xiao Tong, Rui Zhang, Wanli Yang, Kristin A Persson, Xiqian Yu, Xiao-Qing Yang, and Huolin L Xin. "Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery." Nature Communications 10.1 (2019).
Artyushkova, K., A. Serov, H. Doan, N. Danilovic, C.B. Capuano, T. Sakamoto, H. Kishi, S. Yamaguchi, S. Mukerjee, and P. Atanassov. "Application of X-ray photoelectron spectroscopy to studies of electrodes in fuel cells and electrolyzers." Journal of Electron Spectroscopy and Related Phenomena 231 (2019) 127 - 139.
Wang, Ruofan, Grace Y Lau, Dong Ding, Tianli Zhu, and Michael C Tucker. "Approaches for co-sintering metal-supported proton-conducting solid oxide cells with Ba(Zr,Ce,Y,Yb)O3-δ/sub> electrolyte." International Journal of Hydrogen Energy 44.26 (2019) 13768 - 13776.
Wang, Ruofan, Grace Y Lau, Dong Ding, Tianli Zhu, and Michael C Tucker. "Approaches for co-sintering metal-supported proton-conducting solid oxide cells with Ba(Zr,Ce,Y,Yb)O3-." International Journal of Hydrogen Energy 44.26 (2019) 13768 - 13776.
Zheng, Tianyue, Ting Zhang, Mauricio Solis de la Fuente, and Gao Liu. "Aqueous emulsion of conductive polymer binders for Si anode materials in lithium ion batteries." European Polymer Journal 114 (2019) 265 - 270.
Wang, Ruofan, Conor Byrne, and Michael C Tucker. "Assessment of co-sintering as a fabrication approach for metal-supported proton-conducting solid oxide cells." Solid State Ionics 332 (2019) 25 - 33.
Wang, Ruofan, Conor Byrne, and Michael C Tucker. "Assessment of co-sintering as a fabrication approach for metal-supported proton-conducting solid oxide cells." Solid State Ionics 332 (2019) 25 - 33.

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