Publications

X Term: Applied Energy Materials Group

2017

Yan, Qimin, Jie Yu, Santosh K. Suram, Lan Zhou, Aniketa Shinde, Paul F. Newhouse, Wei Chen, Guo Li, Kristin A. Persson, John M. Gregoire, and Jeffrey B. Neaton."Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment."Proceedings of the National Academy of Sciences 114.12 (2017) 3040 - 3043. DOI
Wu, Fanglin, Yizhi Yan, Rui Wang, Haopeng Cai, Wei Tong, and Haolin Tang."Synthesis of LiNi1/3Mn1/3Co1/3O2@graphene for lithium-ion batteries via self-assembled polyelectrolyte layers."Ceramics International 43.10 (2017) 7668 - 7673. DOI
Faghaninia, Alireza, Guodong Yu, Umut Aydemir, Max Wood, Wei Chen, Gian-Marco Rignanese, G. Jeffrey Snyder, Geoffroy Hautier, and Anubhav Jain."A computational assessment of the electronic, thermoelectric, and defect properties of bournonite (CuPbSbS 3) and related substitutions."Physical Chemistry Chemical Physics 19.9 (2017) 6743 - 6756. DOI
Gibbs, Zachary M., Francesco Ricci, Guodong Li, Hong Zhu, Kristin A. Persson, Gerbrand Ceder, Geoffroy Hautier, Anubhav Jain, and G. Jeffrey Snyder."Effective mass and Fermi surface complexity factor from ab initio band structure calculations."npj Computational Materials 3.1 (2017). DOI
Xu, Jing, Min Ling, Lydia Terborg, Hui Zhao, Fen Qiu, Jeffrey J Urban, Robert Kostecki, Gao Liu, and Wei Tong."Facile Synthesis and Electrochemistry of Si-Sn-C Nanocomposites for High-Energy Li-Ion Batteries."Journal of The Electrochemical Society 164.7 (2017) A1378 - A1383. DOI
Canepa, Pieremanuele, Sai Gautam Gopalakrishnan, Daniel C. Hannah, Rahul Malik, Miao Liu, Kevin G. Gallagher, Kristin A. Persson, and Gerbrand Ceder."Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges."Chemical Reviews 117.5 (2017) 4287 - 4341. DOI
Wang, Yan, Qunting Qu, Gao Liu, Vincent S. Battaglia, and Honghe Zheng."Aluminum fumarate-based metal organic frameworks with tremella-like structure as ultrafast and stable anode for lithium-ion batteries."Nano Energy 39 (2017) 200 - 210. DOI
LiangZhang, , Min Ling, Jun Feng, Gao Liu, and Jinghua Guo."Effective electrostatic confinement of polysulfides in lithium/sulfur batteries by a functional binder."Nano Energy 40 (2017) 559 - 565. DOI
Higa, Kenneth, Hui Zhao, Dilworth Y. Parkinson, Harold Barnard, Min Ling, Gao Liu, and Venkat Srinivasan."Electrode Slurry Particle Density Mapping Using X-ray Radiography."Journal of The Electrochemical Society 164.2 (2017) A380 - A388. DOI
Petousis, Ioannis, David Mrdjenovich, Eric Ballouz, Miao Liu, Donald Winston, Wei Chen, Tanja Graf, Thomas D. Schladt, Kristin A. Persson, and Fritz B. Prinz."High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials."Scientific Data 4.1 (2017). DOI
Ling, Min, Michael Liu, Tianyue Zheng, Ting Zhang, and Gao Liu."Investigating the Doping Mechanism of Pyrene Based Methacrylate Functional Conductive Binder in Silicon Anodes for Lithium-Ion Batteries."Journal of The Electrochemical Society 164.4 (2017) A545 - A548. DOI
Zhu, K.J., Gao Liu, Y.J Wang, J Liu, S. T. Li, L.Y. Yang, S.L. Liu, H. Wang, and T. Xie."Metal-Organic Frameworks derived novel hierarchical durian-like nickel sulfide (NiS2) as an anode material for high-performance sodium-ion batteries."Materials Letters 197 (2017) 180 - 183. DOI
Ling, Min, Liang Zhang, Tianyue Zheng, Jun Feng, Jinghua Guo, Liqiang Mai, and Gao Liu."Nucleophilic substitution between polysulfides and binders unexpectedly stabilizing lithium sulfur battery."Nano Energy 38 (2017) 82 - 90. DOI
Heng, Shuai, Qiang Shi, Xueying Zheng, Yan Wang, Qunting Qu, Gao Liu, Vincent S. Battaglia, and Honghe Zheng."An organic-skinned secondary coating for carbon-coated LiFePO4 cathode of high electrochemical performances."Electrochimica Acta 258 (2017) 1244 - 1253. DOI

2016

Niu, Kai-Yang, Miao Liu, Kristin A. Persson, Yu Han, and Haimei Zheng."Strain-Mediated Interfacial Dynamics during Au–PbS Core–Shell Nanostructure Formation."ACS Nano 10.6 (2016) 6235 - 6240. DOI
Jain, Anubhav, Geoffroy Hautier, Shyue Ping Ong, and Kristin A. Persson."New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationshipsAbstract."Journal of Materials Research 31.8 (2016) 977 - 994. DOI
Ai, Guo, Yiling Dai, Wenfeng Mao, Hui Zhao, Yanbao Fu, Xiangyun Song, Yunfei En, Vincent S. Battaglia, Venkat Srinivasan, and Gao Liu."Biomimetic Ant-Nest Electrode Structures for High Sulfur Ratio Lithium–Sulfur Batteries."Nano Letters 16.9 (2016) 5365 - 5372. DOI
Zhao, Hui, Qing Yang, Neslihan Yuca, Min Ling, Kenneth Higa, Vincent S. Battaglia, Dilworth Y. Parkinson, Venkat Srinivasan, and Gao Liu."A Convenient and Versatile Method To Control the Electrode Microstructure toward High-Energy Lithium-Ion Batteries."Nano Letters 16.7 (2016) 4686 - 4690. DOI
Mao, Jing, Kehua Dai, Minjie Xuan, Guosheng Shao, Ruimin Qiao, Wanli Yang, Vincent S. Battaglia, and Gao Liu."Effect of Chromium and Niobium Doping on the Morphology and Electrochemical Performance of High-Voltage Spinel LiNi0.5Mn1.5O4 Cathode Material."ACS Applied Materials & Interfaces 8.14 (2016) 9116 - 9124. DOI
Gerber, Laura C. H., Peter D. Frischmann, Frank Y. Fan, Sean E. Doris, Xiaohui Qu, Angelique M. Scheuermann, Kristin A. Persson, Yet-Ming Chiang, and Brett A. Helms."Three-Dimensional Growth of Li 2 S in Lithium–Sulfur Batteries Promoted by a Redox Mediator."Nano Letters 16.1 (2016) 549 - 554. DOI
Medasani, Bharat, Anthony C. Gamst, Hong Ding, Wei Chen, Kristin A. Persson, Mark Asta, Andrew Canning, and Maciej Haranczyk."Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning."npj Computational Materials 2.1 (2016). DOI
Sa, Niya, Nav Nidhi Rajput, Hao Wang, Baris Key, Magali S. Ferrandon, Venkat Srinivasan, Kristin A. Persson, Anthony K. Burrell, and John T. Vaughey."Concentration dependent electrochemical properties and structural analysis of a simple magnesium electrolyte: magnesium bis(trifluoromethane sulfonyl)imide in diglyme."RSC Advances 6.114 (2016) 113663 - 113670. DOI
Feng, Caihong, Xianpu Meng, Xiaolu Song, Xueting Feng, Yun Zhao, and Gao Liu."Controllable synthesis of hierarchical CuS/ZnS hetero-nanowires as high-performance visible-light photocatalysts."RSC Advances 6.111 (2016) 110266 - 110273. DOI
Han, Kee Sung, Nav Nidhi Rajput, M. Vijayakumar, Xiaoliang Wei, Wei Wang, Jianzhi Hu, Kristin A. Persson, and Karl T. Mueller."Preferential Solvation of an Asymmetric Redox Molecule."The Journal of Physical Chemistry C 120.49 (2016) 27834 - 27839. DOI
Sun, Wenhao, Stephen T. Dacek, Shyue Ping Ong, Geoffroy Hautier, Anubhav Jain, William D. Richards, Anthony C. Gamst, Kristin A. Persson, and Gerbrand Ceder."The thermodynamic scale of inorganic crystalline metastability."Science Advances 2.11 (2016) e1600225. DOI