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2017

Wu, Yixuan, Wen Li, Alireza Faghaninia, Zhiwei Chen, Juan Li, Xinyue Zhang, Bo Gao, Siqi Lin, Binqiang Zhou, Anubhav Jain, and Yanzhong Pei."Promising thermoelectric performance in van der Waals layered SnSe2."Materials Today Physics 3 (2017) 127 - 136. DOI
Zimmermann, Nils E. R, Matthew K Horton, Anubhav Jain, and Maciej Haranczyk."Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization."Frontiers in Materials 4 (2017). DOI
Newhouse, Paul F, Sebastian E Reyes-Lillo, Guo Li, Lan Zhou, Aniketa Shinde, Dan Guevarra, Santosh K Suram, Edwin Soedarmadji, Matthias H Richter, Xiaohui Qu, Kristin A Persson, Jeffrey B Neaton, and John M Gregoire."Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode."Chemistry of Materials 29.23 (2017) 10027 - 10036. DOI
Pöhls, Jan-Hendrik, Alireza Faghaninia, Guido Petretto, Umut Aydemir, Francesco Ricci, Guodong Li, Max Wood, Saneyuki Ohno, Geoffroy Hautier, G. G Jeffrey Snyder, Gian-Marco Rignanese, Anubhav Jain, and Mary Anne White."Metal phosphides as potential thermoelectric materials."Journal of Materials Chemistry C 5.47 (2017) 12441 - 12456. DOI
Feng, Yan, Shuming Dou, Yuzhen Wei, Yuliang Zhang, Xiangyun Song, Xifei Li, and Vincent S Battaglia."Preparation and Capacity-Fading Investigation of Polymer-Derived Silicon Carbonitride Anode for Lithium-Ion Battery."ACS Omega 2.11 (2017) 8075 - 8085. DOI
Wang, Rui, Shichang Cai, Yizhi Yan, William M Yourey, Wei Tong, and Haolin Tang."A novel high-performance electrode architecture for supercapacitors: Fe 2O 3 nanocube and carbon nanotube functionalized carbon."Journal of Materials Chemistry A 5.43 (2017) 22648 - 22653. DOI
Han, Kee Sung, Junzheng Chen, Ruiguo Cao, Nav Nidhi Rajput, Vijayakumar Murugesan, Lili Shi, Huilin Pan, Ji-Guang Zhang, Jun Liu, Kristin A Persson, and Karl T Mueller."Effects of Anion Mobility on Electrochemical Behaviors of Lithium–Sulfur Batteries."Chemistry of Materials 29.21 (2017) 9023 - 9029. DOI
Singh, Arunima K, Lan Zhou, Aniketa Shinde, Santosh K Suram, Joseph H Montoya, Donald Winston, John M Gregoire, and Kristin A Persson."Electrochemical Stability of Metastable Materials."Chemistry of Materials 29.23 (2017) 10159 - 10167. DOI
Lee, Jinhyuk, Joseph K Papp, Raphaële J Clément, Shawn Sallis, Deok-Hwang Kwon, Tan Shi, Wanli Yang, Bryan D McCloskey, and Gerbrand Ceder."Mitigating oxygen loss to improve the cycling performance of high capacity cation-disordered cathode materials."Nature Communications 8.1 (2017). DOI
Pan, Huilin, Junzheng Chen, Ruiguo Cao, Vijay Murugesan, Nav Nidhi Rajput, Kee Sung Han, Kristin A Persson, Luis Estevez, Mark H Engelhard, Ji-Guang Zhang, Karl T Mueller, Yi Cui, Yuyan Shao, and Jun Liu."Non-encapsulation approach for high-performance Li–S batteries through controlled nucleation and growth."Nature Energy 2.10 (2017) 813 - 820. DOI
Shinde, Aniketa, Santosh K Suram, Qimin Yan, Lan Zhou, Arunima K Singh, Jie Yu, Kristin A Persson, Jeffrey B Neaton, and John M Gregoire."Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments."ACS Energy Letters 2.10 (2017) 2307 - 2312. DOI
Tong, Wei, and Glenn G Amatucci."Silver copper fluoride: A novel perovskite cathode for lithium batteries."Journal of Power Sources 362 (2017) 86 - 91. DOI
Lin, Feng, Yijin Liu, Xiqian Yu, Lei Cheng, Andrej Singer, Oleg G Shpyrko, Huolin L Xin, Nobumichi Tamura, Chixia Tian, Tsu-Chien Weng, Xiao-Qing Yang, Ying Shirley Meng, Dennis Nordlund, Wanli Yang, and Marca M Doeff."Synchrotron X-ray Analytical Techniques for Studying Materials Electrochemistry in Rechargeable Batteries."Chemical Reviews 117.21 (2017) 13123 - 13186. DOI
Mathew, Kiran, Joseph H Montoya, Alireza Faghaninia, Shyam S Dwaraknath, Muratahan Aykol, Hanmei Tang, Iek-heng Chu, Tess Smidt, Brandon Bocklund, Matthew Horton, John Dagdelen, Brandon Wood, Zi-Kui Liu, Jeffrey B Neaton, Shyue Ping Ong, Kristin A Persson, and Anubhav Jain."Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows."Computational Materials Science 139 (2017) 140 - 152. DOI
Ludwig, Jennifer, Stephan Geprägs, Dennis Nordlund, Marca M Doeff, and Tom Nilges."Co 11 Li[(OH) 5O][(PO 3OH)(PO 4) 5], a Lithium-Stabilized, Mixed-Valent Cobalt(II,III) Hydroxide Phosphate Framework."Inorganic Chemistry 56.18 (2017) 10950 - 10961. DOI
Dagdelen, John, Joseph Montoya, Maarten de Jong, and Kristin A Persson."Computational prediction of new auxetic materials."Nature Communications 8.1 (2017). DOI
Feng, Zhange, Kenneth Higa, Kee Sung Han, and Venkat Srinivasan."Evaluating Transport Properties and Ionic Dissociation of LiPF 6 in Concentrated Electrolyte."Journal of The Electrochemical Society 164.12 (2017) A2434 - A2440. DOI
Haddad, Andrew Z, Steve P Cronin, Mark S Mashuta, Robert M Buchanan, and Craig A Grapperhaus."Metal-Assisted Ligand-Centered Electrocatalytic Hydrogen Evolution upon Reduction of a Bis(thiosemicarbazonato)Cu(II) Complex."Inorganic Chemistry 56.18 (2017) 11254 - 11265. DOI
Niu, Kaiyang, You Xu, Haicheng Wang, Rong Ye, Huolin L Xin, Feng Lin, Chixia Tian, Yanwei Lum, Karen C Bustillo, Marca M Doeff, Marc T.M Koper, Joel W Ager, Rong Xu, and Haimei Zheng."A spongy nickel-organic CO 2reduction photocatalyst for nearly 100% selective CO production."Science Advances 3.7 (2017) e1700921. DOI
Ricci, Francesco, Wei Chen, Umut Aydemir, G. G Jeffrey Snyder, Gian-Marco Rignanese, Anubhav Jain, and Geoffroy Hautier."An ab initio electronic transport database for inorganic materials."Scientific Data 4.1 (2017). DOI
Abreu, C, D Rua, T Costa, P Machado, J.A Peças Lopes, and Miguel Heleno."AnyPLACE — An energy management system to enhance demand response participation."2017 IEEE Manchester PowerTech2017 IEEE Manchester PowerTech (2017). DOI
Qu, Xiaohui, Yong Zhang, Nav Nidhi Rajput, Anubhav Jain, Edward Maginn, and Kristin A Persson."Computational Design of New Magnesium Electrolytes with Improved Properties."The Journal of Physical Chemistry C 121.30 (2017) 16126 - 16136. DOI
Kan, Wang Hay, Saravanan Kuppan, Lei Cheng, Marca M Doeff, Jagjit Nanda, Ashfia Huq, and Guoying Chen."Crystal Chemistry and Electrochemistry of Li xMn 1.5Ni 0.5O 4Solid Solution Cathode Materials."Chemistry of Materials 29.16 (2017) 6818 - 6828. DOI
Xing, Zhenyu, Yitong Qi, Ziqi Tian, Jing Xu, Yifei Yuan, Clement Bommier, Jun Lu, Wei Tong, De-en Jiang, and Xiulei Ji."Identify the Removable Substructure in Carbon ActivationIdentify the Removable Substructure in Carbon Activation."Chemistry of Materials 29.17 (2017) 7288 - 7295. DOI
Barai, Pallab, Kenneth Higa, and Venkat Srinivasan."Lithium dendrite growth mechanisms in polymer electrolytes and prevention strategies."Physical Chemistry Chemical Physics 19.31 (2017) 20493 - 20505. DOI