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Theoretical and Experimental Study of Vanadium-Based Fluorophosphate Cathodes for Rechargeable Batteries

Xu, Maowen ; Xiao, Penghao ; Stauffer, Shannon ; Song, Jie ; Henkelman, Graeme ; Goodenough, John B Energy Frontier Research Centers (Efrc) (Corporate Author) ; Understanding Charge Separation and Transfer At Interfaces in Energy Materials (Cst) (Corporate Author)

Chem. Mater, 27 May 2014, Vol.26 (10) [Periódico revisado por pares]

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Ultralow Thermal Conductivity in Diamond-Like Semiconductors: Selective Scattering of Phonons from Antisite Defects

Ortiz, Brenden R ; Peng, Wanyue ; Gomes, Lídia C ; Gorai, Prashun ; Zhu, Taishan ; Smiadak, David M ; Snyder, G. Jeffrey ; Stevanović, Vladan ; Ertekin, Elif ; Zevalkink, Alexandra ; Toberer, Eric S National Renewable Energy Lab. (Nrel), Golden, CO (United States) (Corporate Author)

Chemistry of Materials, 02 May 2018, Vol.30(10) [Periódico revisado por pares]

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First-Principles Design and Analysis of an Efficient, Pb-Free Ferroelectric Photovoltaic Absorber Derived from ZnSnO 3

Kolb, Brian ; Kolpak, Alexie M Energy Frontier Research Centers (Efrc) (United States). Center for Next Generation of Materials By Design: Incorporating Metastability (Cngmd) (Corporate Author)

Chemistry of Materials, 17 August 2015, Vol.27(17) [Periódico revisado por pares]

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Searching for “Defect-Tolerant” Photovoltaic Materials: Combined Theoretical and Experimental Screening

Brandt, Riley E ; Poindexter, Jeremy R ; Gorai, Prashun ; Kurchin, Rachel C ; Hoye, Robert L. Z ; Nienhaus, Lea ; Wilson, Mark W. B ; Polizzotti, J. Alexander ; Sereika, Raimundas ; Žaltauskas, Raimundas ; Lee, Lana C ; Macmanus-Driscoll, Judith L ; Bawendi, Moungi ; Stevanović, Vladan ; Buonassisi, Tonio Energy Frontier Research Centers (Efrc) (United States). Center for Next Generation of Materials By Design: Incorporating Metastability (Cngmd) (Corporate Author)

Chemistry of Materials, 17 May 2017, Vol.29(11) [Periódico revisado por pares]

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High-Pressure Synthesis and Characterization of Incompressible Titanium Pernitride

Bhadram, Venkata S ; Kim, Duck Young ; Strobel, Timothy A Energy Frontier Research Centers (Efrc) (United States). Energy Frontier Research in Extreme Environments (Efree) (Corporate Author)

Chemistry of Materials, 29 February 2016, Vol.28(6) [Periódico revisado por pares]

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Enhanced Charge-Transfer Kinetics by Anion Surface Modification of LiFePO4

Park, Kyu-Sung ; Xiao, Penghao ; Kim, So-Yeon ; Dylla, Anthony G ; Choi, Young-Min ; Henkelman, Graeme ; Stevenson, Keith J ; Goodenough, John B Energy Frontier Research Centers (Efrc) (Corporate Author) ; Understanding Charge Separation and Transfer At Interfaces in Energy Materials (Cst) (Corporate Author)

Chem. Mater, 28 August 2012, Vol.24 (16) [Periódico revisado por pares]

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Calculations of Li-Ion Diffusion in Olivine Phosphates

Dathar, Gopi Krishna Phani ; Sheppard, Daniel ; Stevenson, Keith J ; Henkelman, Graeme Energy Frontier Research Centers (Efrc) (United States). Understanding Charge Separation and Transfer At Interfaces in Energy Materials (Cst) (Corporate Author)

Chemistry of Materials, 13 September 2011, Vol.23(17) [Periódico revisado por pares]

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3-D molecular mixtures of catalytically functionalized [vinylSiO1.5]10/[vinylSiO1.5]12. Photophysical characterization of third generation derivatives

Jung, Jae Hwan ; Furgal, Joseph ; Goodson III, Theodore G ; Mizumo, Tomonobu ; Schwartz, Matthew ; Chou, Kathleen ; Vonet, Jean-Francois ; Laine, Richard M Energy Frontier Research Centers (Efrc) (Corporate Author) ; Center for Solar and Thermal Energy Conversion (Cstec) (Corporate Author)

Chem. Mater, 22 May 2012, Vol.24 [Periódico revisado por pares]

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Evaluating Born and Local Effective Charges in Nanoscale MnO

Sun, Qi ; Xu, Xiaoshan ; Baker, Sheila N ; Christianson, Andrew D ; Musfeldt, J. L Oak Ridge National Lab. (Ornl), Oak Ridge, Tn (United States) (Corporate Author) ; High Temperature Materials Laboratory (Corporate Author)

Chemistry of Materials, 01 January 2011, Vol.23(11) [Periódico revisado por pares]

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Theoretical Study of the Structural Evolution of a Na 2 FeMn(CN) 6 Cathode upon Na Intercalation

Xiao, Penghao ; Song, Jie ; Wang, Long ; Goodenough, John B ; Henkelman, Graeme Energy Frontier Research Centers (Efrc) (United States). Understanding Charge Separation and Transfer At Interfaces in Energy Materials (Cst) (Corporate Author)

Chemistry of Materials, 06 May 2015, Vol.27(10) [Periódico revisado por pares]

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