New Paper on Over-lithiated Cobalt/Nickel Spinel Oxides for Li-ion BatteriesE Lee, J Blauwkamp, FC Castro, J Wu, VP Dravid, P Yan, C Wang, S Kim, C Wolverton, R Benedek, F Dogan, JS Park, JR Croy, and MM Thackeray. Exploring Lithium-Cobalt-Nickel Oxide Spinel Electrodes for ≥3.5 V Li-Ion Cells. ACSAppl. Mater. Interfaces8, 27720–27729 (2016).
Posted Dec 15, 2016, 8:56 AM by Shane Patel
New Paper on Organic Dye/Graphene Hybrid StructuresYS Gim, Y Lee, S Kim, S Hao, MS Kang, WJ Yoo, H Kim, C Wolverton, JH Cho. Organic Dye Graphene Hybrid Structures with Spectral Color Selectivity. Adv. Func. Matls. Vol. 26, 36. 2016.
Posted Sep 30, 2016, 8:13 AM by Shane Patel
Tony and colleagues make the cover of Chemistry of Materials with new paper on High-Throughput Screening of Perovskites for Thermochemical Water SplittingAA Emery, JE Saal, S Kirklin, VI Hegde, C Wolverton. High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications. Chem. Mater., 2016, 28 (16),pp 5621–5634. Multiple images from the paper were chosen for the cover of the most recent issue of Chemistry of Materials. Congratulations to Tony, James, Scott, and Vinay!"Emery
et al. employed high-throughput density functional theory to monitor the
thermodynamic stability and oxygen vacancy formation energy of ABO3
perovskites from thousands of possible combinations of A and B atoms, with the
aim to identify materials that can be synthesized and used for hydrogen
production through solar thermochemical water splitting (see top image). Each
line (bottom image) represents a stable compound while ...
Posted Sep 6, 2016, 12:29 PM by Shane Patel
Two new papers published on Atomistic Machine LearningL Ward, C Wolverton. Atomistic calculations and materials informatics: A review. Current Opinion in Solid State and Materials Science. 2016.L Ward, A Agrawal, A Choudhary, C Wolverton. A general-purpose machine learning framework for predicting properties of inorganic materials. npj Computational Materials. 2016. 2, 16028.
Posted Sep 6, 2016, 12:16 PM by Shane Patel
New Paper on Ultrahigh ZT factor in SnSe Thermoelectrics published in Science!LD Zhao, G Tan, S Hao, J He, Y Pei, H Chi, H Wang, S Gong, H Xu, VP Dravid, C Uher, GJ Snyder, C Wolverton, MG Kanatzidis. Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe. Science 351 (6269), 141-144.Congratulations to Shiqiang and co-authors!
Posted Sep 6, 2016, 12:12 PM by Shane Patel
Jiangang and colleagues make the cover of PRL with new paper on Ultralow Thermal Conductivity in Full Heusler Semiconductors!Jiangang He, Maximilian Amsler, Yi Xia, S. Shahab Naghavi, Vinay I.
Hegde, Shiqiang Hao, Stefan Goedecker, Vidvuds Ozoliņš, and Chris
Wolverton Phys. Rev. Lett. 117, 046602 (2016)An image from the paper was selected for the cover of PRL! Congratulations to Jiangang, Max, Shahab, Vinay, and Shiqiang!"Scattering rates for three-phonon interactions for absorption (left) and emission (right) for the R Heusler semiconductor Ba2AuBi at 300 K. Horizontal axes are phonon frequencies; vertical axis is the scattering rate."
Posted Jul 27, 2016, 11:55 PM by Max Amsler