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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c8f6c7f6f1cae7c72010422eb5a70f9c
https://doi.org/10.1021/acs.jpcc.2c08941
https://doi.org/10.1021/acs.jpcc.2c08941
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a682516582e70662abef25d140886311
https://doi.org/10.1021/acs.jpcc.2c08942
https://doi.org/10.1021/acs.jpcc.2c08942
Publikováno v:
The Journal of Physical Chemistry A. 126:7997-8006
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb64c5fe07ec97a8845f7d5474253c0d
https://doi.org/10.1021/acs.jpca.2c06386
https://doi.org/10.1021/acs.jpca.2c06386
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::27e297e5518e4d756df8da66fff8c5c7
https://doi.org/10.1021/acs.jpca.2c00764
https://doi.org/10.1021/acs.jpca.2c00764
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f53403e54f1339d9117ea188dfd099da
https://doi.org/10.1111/jace.17844
https://doi.org/10.1111/jace.17844
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f2f4ab38a4c6c9ad2b329108490ebd09
https://doi.org/10.1021/acs.jpca.1c00605
https://doi.org/10.1021/acs.jpca.1c00605
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...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0502cbb820c2ef1ada6cc7c91c8273fc
https://doi.org/10.1021/acsaem.0c01328
https://doi.org/10.1021/acsaem.0c01328
Publikováno v:
Journal of the American Ceramic Society. 103:5870-5880
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::12f136ce55910f888b6c76e0b45c63ba
https://doi.org/10.1111/jace.17213
https://doi.org/10.1111/jace.17213
Autor:
Charles W. Bauschlicher
Publikováno v:
Theoretical Chemistry Accounts. 141
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0339107e23a9db8d2bcdabe70d0092d7
https://doi.org/10.1007/s00214-022-02867-9
https://doi.org/10.1007/s00214-022-02867-9
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1acdcb67caa1d1315b7d3abdb2b706fe
https://doi.org/10.1063/5.0120504
https://doi.org/10.1063/5.0120504