Zobrazeno 1 - 10
of 646
pro vyhledávání: '"Charles W. Bauschlicher"'
Autor:
Kristian B. Knudsen, Pedro L. Arrechea, Rocco P. Viggiano, Donald A. Dornbusch, J. Wayne Mullinax, Charles W. Bauschlicher, Justin B. Haskins, Baochau Nguyen, John W. Lawson, Bryan D. McCloskey
Publikováno v:
The Journal of Physical Chemistry C. 127:7037-7042
Autor:
J. Wayne Mullinax, Charles W. Bauschlicher, Kristian B. Knudsen, Pedro L. Arrechea, Rocco P. Viggiano, Donald A. Dornbusch, Justin B. Haskins, Baochau Nguyen, Bryan D. McCloskey, John W. Lawson
Publikováno v:
The Journal of Physical Chemistry C. 127:7043-7053
Publikováno v:
The Journal of Physical Chemistry A. 126:7997-8006
Publikováno v:
The Journal of Physical Chemistry A. 126:1551-1561
Thermodynamic quantities are calculated for gaseous hydroxides and oxyhydroxides of Cr, Mn, and La. These would form due to water-vapor-containing environments reacting with Cr-forming alloys or oxide components of potential fuel cell interconnects o
Autor:
Charles W. Bauschlicher, Justin B. Haskins, William C. Tucker, Michael Preudhomme, Dean Cheikh, Lauren J. Abbott
Publikováno v:
Journal of the American Ceramic Society. 104:4695-4707
Publikováno v:
The Journal of Physical Chemistry A. 125:2876-2884
Recent experimental and computational evidence indicates that singlet oxygen (1O2) attacks the ethylene group (-CH2-CH2-) in ethylene carbonate (EC) leading to degradation in Li-ion batteries employing EC as the electrolyte solvent [J. Phys. Chem. A2
Autor:
Kristian Bastholm Knudsen, Pedro Luis Arrechea, Charles W. Bauschlicher, Justin B. Haskins, John W. Lawson, Bryan D. McCloskey, J. Wayne Mullinax
Publikováno v:
ACS Applied Energy Materials. 3:8812-8821
In the lithium-O2 battery, redox mediators lower the charging overpotential while facilitating the oxidation of the discharge product (lithium peroxide, Li2O2) to molecular oxygen. Previous studies...
Publikováno v:
Journal of the American Ceramic Society. 103:5870-5880
Autor:
Charles W. Bauschlicher
Publikováno v:
Theoretical Chemistry Accounts. 141
Publikováno v:
The Journal of Chemical Physics. 157:154302
Hafnium dioxide vaporizes primarily to HfO(g) in a reducing environment. The thermochemistry of HfO(g) is calculated from quantum methods and measured via Knudsen effusion mass spectrometry. For the computations, all-electron and relativistic effecti