Zobrazeno 1 - 10
of 96
pro vyhledávání: '"C.C. Fischer"'
Autor:
Robert Ellis Doe, Gerd Ceder, Hyun Deog Yoo, Ivgeni Shterenberg, Doron Aurbach, C.C. Fischer, Yosef Gofer
Publikováno v:
Journal of The Electrochemical Society. 161:A410-A415
Prototype cells of hybrid capacitor were developed, comprising activated carbon (AC) cloth and magnesium (Mg) foil as the positive and negative electrodes, respectively. The electrolyte solution included ether solvent (TBF) and a magnesium organo-hal
Autor:
Gerbrand Ceder, Geoffroy Hautier, Kristin A. Persson, Charles J. Moore, Tim Mueller, Shyue Ping Ong, Anubhav Jain, C.C. Fischer
Publikováno v:
Computational Materials Science. 50:2295-2310
The use of high-throughput density functional theory (DFT) calculations to screen for new materials and conduct fundamental research presents an exciting opportunity for materials science and materials innovation. High-throughput DFT typically involv
Publikováno v:
Chemistry of Materials. 22:3762-3767
Finding new compounds and their crystal structures is an essential step to new materials discoveries. We demonstrate how this search can be accelerated using a combination of machine learning techniques and high-throughput ab initio computations. Usi
Autor:
Gerbrand Ceder, David J. Couling, William H. Green, Anubhav Jain, C.C. Fischer, S.-A. Seyed-Reihani
Publikováno v:
Chemical Engineering Science. 65:3025-3033
Coal gasification provides an opportunity to improve the thermal efficiency of energy extraction from coal over traditional pulverized coal technology, but efficiencies are hindered by low temperature removal of mercury and other pollutants. This wor
Publikováno v:
MRS Bulletin. 31:981-985
The prediction of crystal structure is a key outstanding problem in materials science and one that is fundamental to computational materials design. We argue that by combining the predictive accuracy of quantum mechanics with data mining tools to ext
Publikováno v:
Nature Materials. 5:641-646
Modern methods of quantum mechanics have proved to be effective tools to understand and even predict materials properties. An essential element of the materials design process, relevant to both new materials and the optimization of existing ones, is
Autor:
V.G. Constien, C.C. Fischer
Publikováno v:
Day 2 Thu, February 27, 2014.
A suite of practical laboratory tests has been developed to characterize the performance of shale fracturing fluids and chemicals. The testing suite includes friction reduction, capillary suction time, and shale strength changes after exposure to the
Publikováno v:
Day 1 Wed, February 26, 2014.
Laboratory performance test methods for evaluation of the performance of screens and screens with gravel or frac packs have been relatively unchanged for several years. The small scale sand retention tests generally separate into two types depending
Autor:
Geoffroy Hautier, Gerbrand Ceder, Anubhav Jain, Kristin A. Persson, Charles J. Moore, C.C. Fischer, Shyue Ping Ong
Publikováno v:
Physical Review B. 84
Standard approximations to the density functional theory exchange-correlation functional have been extraordinary successful, but calculating formation enthalpies of reactions involving compounds with both localized and delocalized electronic states r
Publikováno v:
Inorganic chemistry. 50(2)
The existence of new compounds is often postulated by solid state chemists by replacing an ion in the crystal structure of a known compound by a chemically similar ion. In this work, we present how this new compound discovery process through ionic su