Research Themes +
Energy Technologies Area (ETA) researchers are continually building on the strong scientific foundation we have developed over the past 50 years. We address the world’s most pressing scientific challenges across the buildings, transportation, and industrial sectors. ETA is at the forefront of improving the country's aging electrical grid and innovating distributed energy and storage solutions; developing grid-integrated building systems; and providing the most comprehensive market and data analysis worldwide.
Publications
News +
For media inquiries, please email:

[email protected]
About Us +
The Energy Technologies Area (ETA) is unique in translating fundamental scientific discoveries into scalable technology adoption. Our approach combines an understanding of the marketplace and the role of state and federal regulation and policies. ETA's research drives real-world, practical results that affect and improve the everyday lives of Americans and those across the globe. Saving energy and increasing reliability are key to the foundation of our research, which is driven by techno-economic analysis and in-lab experimentation and discovery.

Publications

Publications by Research Area

Demand Response

Energy Markets & Planning

Energy Efficiency

Industrial Energy Analysis

Systems and Energy Technologies Analysis

Publications by Division

Building & Industrial Energy Systems (BIES)

Energy Analysis (EA)

Energy Technologies & Systems (ETS)

2012

Upreti, Shailesh, Natasha A Chernova, Jie Xiao, Joel K Miller, Olga V Yakubovich, Jordi Cabana, Clare P Grey, Vincent L Chevrier, Gerbrand Ceder, Janice L Musfeldt, and M. M Stanley Whittingham."Crystal structure, physical properties, and electrochemistry of copper substituted LiFePO₄ single crystals."Chemistry of Materials 24 (2012) 166-173. DOI

2011

Ceder, Gerbrand, Geoffroy Hautier, Anubhav Jain, and Shyue P Ong."Recharging lithium battery research with first-principles methods."MRS Bulletin 36.03 (2011) 185-191. DOI

Hautier, Geoffroy, Anubhav Jain, Hailong Chen, Charles J Moore, Shyue P Ong, and Gerbrand Ceder."Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations."Journal of Materials Chemistry 21 (2011) 17147-17153. DOI

Mueller, Tim, Geoffroy Hautier, Anubhav Jain, and Gerbrand Ceder."Evaluation of tavorite-structured cathode materials for lithium-ion batteries using high-throughput computing."Chemistry of Materials 23.17 (2011) 3854-3862. DOI

Ong, Shyue P, Vincent L Chevrier, Geoffroy Hautier, Anubhav Jain, Charles J Moore, Sangtae Kim, XiaoHui Ma, and Gerbrand Ceder."Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials."Energy & Environmental Science 4 (2011) 3680-3688. DOI

Hautier, Geoffroy, Anubhav Jain, Shyue P Ong, Byoungwoo Kang, Charles J Moore, Robert E Doe, and Gerbrand Ceder."Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput Ab Initio Calculations."Chemistry of Materials 23.15 (2011) 3495-3508. DOI

Jain, Anubhav, Geoffroy Hautier, Shyue P Ong, Charles J Moore, Christopher C Fischer, Kristin A Persson, and Gerbrand Ceder."Formation enthalpies by mixing GGA and GGA+ U calculations."Physical Review B 84.4 (2011). DOI

Jain, Anubhav, Geoffroy Hautier, Charles J Moore, Shyue P Ong, Christopher C Fischer, Tim Mueller, Kristin A Persson, and Gerbrand Ceder."A high-throughput infrastructure for density functional theory calculations."Computational Materials Science 50 (2011) 2295-2310. DOI

Kim, Jae C, Charles J Moore, Byoungwoo Kang, Geoffroy Hautier, Anubhav Jain, and Gerbrand Ceder."Synthesis and Electrochemical Properties of Monoclinic LiMnBO₃ as a Li Intercalation Material."Journal of The Electrochemical Society 158.3 (2011) A309-A309. DOI

Hautier, Geoffroy, Christopher C Fischer, Virginie Ehrlacher, Anubhav Jain, and Gerbrand Ceder."Data Mined Ionic Substitutions for the Discovery of New Compounds."Inorganic Chemistry 50 (2011) 656-663. DOI

2010

Persson, Kristin A, Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, and Gerbrand Ceder."Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations."Physical Review B 82.12-15 (2010) 125416. DOI

Hautier, Geoffroy, Christopher C Fischer, Anubhav Jain, Tim Mueller, and Gerbrand Ceder."Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory."Chemistry of Materials 22 (2010) 3762-3767. DOI

Jain, Anubhav, S.-A Seyed-Reihani, Christopher C Fischer, David J Couling, Gerbrand Ceder, and William H Green."Ab initio screening of metal sorbents for elemental mercury capture in syngas streams."Chemical Engineering Science 65.10 (2010) 3025-3033. DOI

Ong, Shyue P, Anubhav Jain, Geoffroy Hautier, Byoungwoo Kang, and Gerbrand Ceder."Thermal stabilities of delithiated olivine MPO₄ (M=Fe, Mn) cathodes investigated using first principles calculations."Electrochemistry Communications 12.3 (2010) 427-430. DOI

Persson, Kristin A, Vijay A Sethuraman, Laurence J Hardwick, Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, Venkat Srinivasan, Robert Kostecki, and Gerbrand Ceder."Lithium diffusion in graphitic carbon."The Journal of Physical Chemistry Letters 1.8 (2010) 1176-1180. DOI

2009

Tang, Lei, Byungchan Han, Kristin A Persson, Cody Friesen, Ting He, Karl Sieradzki, and Gerbrand Ceder."Electrochemical stability of nanometer-scale Pt particles in acidic environments."Journal of the American Chemical Society 132.2 (2009) 596-600. DOI

Doe, Robert E, Kristin A Persson, Geoffroy Hautier, and Gerbrand Ceder."First Principles Study of the Li-BiF Phase Diagram and Bismuth Fluoride Conversion Reactions with Lithium."Electrochemical and Solid State Letters 12.7 (2009) A125-A128. DOI

2008

Bi, Lei, Alexander R Taussig, Hyun-Suk Kim, Lei Wang, Gerald F Dionne, D Bono, Kristin A Persson, Gerbrand Ceder, and Caroline A Ross."Structural, magnetic, and optical properties of BiFeO₃ and Bi₂FeMnO₆ epitaxial thin films: An experimental and first-principles study."Physical Review B 78 (2008) 104106. DOI

Sivakumar, V, Caroline A Ross, N Yabuuchi, Yang Shao-Horn, Kristin A Persson, and Gerbrand Ceder."Electrochemical Control of the Magnetic Moment of CrO₂."Journal of The Electrochemical Society 155 (2008) P83-P88.

Doe, Robert E, Kristin A Persson, Ying Shirley Meng, and Gerbrand Ceder."First-Principles Investigation of the Li-Fe-F Phase Diagram and Equilibrium and Nonequilibrium Conversion Reactions of Iron Fluorides with Lithium."Chemistry of Materials 20.16 (2008) 5274-5283. DOI

Predith, A, Gerbrand Ceder, Chris Wolverton, Kristin A Persson, and Tim Mueller."Ab initio prediction of ordered ground-state structures in ZrO₂-Y₂O₃."Physical Review B 77 (2008). DOI

2007

Gallardo-Amores, Jose M, Neven Biskup, Ulises Amador, Kristin A Persson, Gerbrand Ceder, and M. M Elena Arroyo y de Dompablo."Computational and Experimental Investigation of the Transformation of V₂O₅ Under Pressure."Chemistry of Materials 19 (2007) 5262-5271. DOI

2006

Persson, Kristin A, Amelia Bengtson, Gerbrand Ceder, and Dane Morgan."Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg_1-x,Fe_x)O system."Geophysical Research Letters 33 (2006).

Persson, Kristin A, Gerbrand Ceder, and Dane Morgan."Spin transitions in the Fe_xMn_1-xS₂ system."Physical Review B 73 (2006).

2003

Curtarolo, Stefano, Dane Morgan, Kristin A Persson, John Rodgers, and Gerbrand Ceder."Predicting Crystal Structures with Data Mining of Quantum Calculations."Physical Review Letters 91 (2003).