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Items where Person is "Yu-Ted-H"

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Number of items: 31.

2020

Hossain, Md Delowar and Huang, Yufeng and Yu, Ted H. et al. (2020) Reaction mechanism and kinetics for CO₂ reduction on nickel single atom catalysts from quantum mechanics. Nature Communications, 11 . Art. No. 2256. ISSN 2041-1723. PMCID PMC7205999. https://resolver.caltech.edu/CaltechAUTHORS:20200511-085432577

Yu, Ted H. (2020) Teaching Thermodynamics with the Quantum Volume. Journal of Chemical Education, 97 (3). pp. 736-740. ISSN 0021-9584. https://resolver.caltech.edu/CaltechAUTHORS:20200127-072319749

Humphrey, Nicholas and Rodriguez, Roberto and Arias, Gabriel et al. (2020) Comparing the oxygen reduction reaction on selectively edge halogen doped graphene from quantum mechanics. Journal of Catalysis, 381 . pp. 295-307. ISSN 0021-9517. https://resolver.caltech.edu/CaltechAUTHORS:20191127-113547020

2017

Ly, Quang and Merinov, Boris V. and Xiao, Hai et al. (2017) The Oxygen Reduction Reaction on Graphene from Quantum Mechanics: Comparing Armchair and Zigzag Carbon Edges. Journal of Physical Chemistry C, 121 (44). pp. 24408-24417. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20171011-090908855

Yu, Ted and Quang, Ly and Goddard, William A. (2017) Comparing the oxygen reduction reaction on armchair and zigzag edges from quantum mechanics. In: 254th American Chemical Society National Meeting & Exposition, August 20-24, 2017, Washington, DC. https://resolver.caltech.edu/CaltechAUTHORS:20170911-152800718

Humphrey, Nicholas and Rodriguez, Roberto and Arias, Gabriel et al. (2017) DFT simulation of edge halogenated nanosheets as an ORR catalyst in fuel cells. In: 254th American Chemical Society National Meeting & Exposition, August 20-24, 2017, Washington, DC. https://resolver.caltech.edu/CaltechAUTHORS:20180501-160248473

Arias, Gabriel and Humphrey, Nicholas and Goddard, William A. et al. (2017) DFT simulation of nitrogen-doped graphene as an ORR catalyst in fuel cells. In: 254th American Chemical Society National Meeting & Exposition, August 20-24, 2017, Washington, DC. https://resolver.caltech.edu/CaltechAUTHORS:20180427-100731356

Yu, Ted (2017) Improving thermodynamics teaching for chemistry students. In: 254th American Chemical Society National Meeting & Exposition, August 20-24, 2017, Washington, DC. https://resolver.caltech.edu/CaltechAUTHORS:20170915-081248867

Pardo, Eduardo and Thai, Edward and Dunham, Nathanael et al. (2017) Incorporating graphene halides to improve Li/S batteries. In: 254th American Chemical Society National Meeting & Exposition, August 20-24, 2017, Washington, DC. https://resolver.caltech.edu/CaltechAUTHORS:20170911-145051102

Higgwe, Tamunotelema and Walker, Dejuante and Thai, Edward et al. (2017) Study to improve electrolytes in sodium batteries. In: 254th American Chemical Society National Meeting & Exposition, August 20-24, 2017, Washington, DC. https://resolver.caltech.edu/CaltechAUTHORS:20180501-152012910

2016

Li, Mufan and Zhao, Zipeng and Cheng, Tao et al. (2016) Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction. Science, 354 (6318). pp. 1414-1419. ISSN 0036-8075. https://resolver.caltech.edu/CaltechAUTHORS:20161121-104400912

Yu, Ted H. and Torres, Randy and Merinov, Boris V. et al. (2016) Elucidating Challenges of Reactions with Correlated Reactant and Product Binding Energies on an Example of Oxygen Reduction Reaction. Journal of Molecular Catalysis A: Chemical, 423 . pp. 449-456. ISSN 1381-1169. https://resolver.caltech.edu/CaltechAUTHORS:20160708-121821265

Tsai, Ho-Cheng and Morozov, Sergey I. and Yu, Ted H. et al. (2016) First-Principles Modeling of Ni_4M (M = Co, Fe, and Mn) Alloys as Solid Oxide Fuel Cell Anode Catalyst for Methane Reforming. Journal of Physical Chemistry C, 120 (1). pp. 207-214. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20160105-110644565

2015

Tsai, Ho-Cheng and Hsieh, Yu-Chi and Yu, Ted H. et al. (2015) DFT Study of Oxygen Reduction Reaction on Os/Pt Core−Shell Catalysts Validated by Electrochemical Experiment. ACS Catalysis, 5 (3). pp. 1568-1580. ISSN 2155-5435. https://resolver.caltech.edu/CaltechAUTHORS:20150217-103925807

2014

Tsai, Ho-Cheng and Yu, Ted H. and Sha, Yao et al. (2014) Density Functional Theory Study of Pt_3M Alloy Surface Segregation with Adsorbed O/OH and Pt_3Os as Catalysts for Oxygen Reduction Reaction. Journal of Physical Chemistry C, 118 (46). pp. 26703-26712. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20141110-134852748

Fortunelli, Alessandro and Goddard, William A., III and Sha, Yao et al. (2014) Dramatic Increase in the Oxygen Reduction Reaction for Platinum Cathodes from Tuning the Solvent Dielectric Constant. Angewandte Chemie International Edition, 53 (26). pp. 6669-6672. ISSN 1433-7851. https://resolver.caltech.edu/CaltechAUTHORS:20140603-152723913

Lee, Yi-Juei and Hsieh, Yu-Chi and Tsai, Ho-Cheng et al. (2014) Dealloyed Pt_(2)Os nanoparticles for enhanced oxygen reduction reaction in acidic electrolytes. Applied Catalysis B, 150-151 . pp. 636-646. ISSN 0926-3373. https://resolver.caltech.edu/CaltechAUTHORS:20140421-104729502

Sha, Yao and Yu, Ted H. and Merinov, Boris V. et al. (2014) DFT Prediction of Oxygen Reduction Reaction on Palladium−Copper Alloy Surfaces. ACS Catalysis, 4 (4). pp. 1189-1197. ISSN 2155-5435. https://resolver.caltech.edu/CaltechAUTHORS:20140401-151816264

Goddard, William A., III and Merinov, Boris and Tsai, Ho-Cheng et al. (2014) First principles based theory and applications to understanding and developing improved catalysts and membranes for fuel cells. In: 247th ACS National Meeting & Exposition, 16-20 March 2014, Dallas, TX. https://resolver.caltech.edu/CaltechAUTHORS:20140423-111155116

2013

Yu, Ted H. and Hofmann, Timo and Sha, Yao et al. (2013) Finding Correlations of the Oxygen Reduction Reaction Activity of Transition Metal Catalysts with Parameters Obtained from Quantum Mechanics. Journal of Physical Chemistry C, 117 (50). pp. 26598-26607. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20140124-111244709

Yu, Ted H. and Liu, Wei-Guang and Sha, Yao et al. (2013) The effect of different environments on Nafion degradation: Quantum mechanics study. Journal of Membrane Science, 437 . pp. 276-285. ISSN 0376-7388. https://resolver.caltech.edu/CaltechAUTHORS:20130710-085703673

Hofmann, Timo and Yu, Ted H. and Folse, Michael et al. (2013) Reply to “Comment on ‘Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications’”. Journal of Physical Chemistry C, 117 (13). pp. 6916-6917. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20130528-094246898

2012

Hofman, Timo and Yu, Ted H. and Folse, Michael et al. (2012) Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications. Journal of Physical Chemistry C, 116 (45). pp. 24016-24026. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20121219-161216912

Sha, Yao and Yu, Ted H. and Merinov, Boris V. et al. (2012) Mechanism for Oxygen Reduction Reaction on Pt_3Ni Alloy Fuel Cell Cathode. Journal of Physical Chemistry C, 116 (40). pp. 21334-21342. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20121114-090742086

Sha, Yao and Yu, Ted H. and Merinov, Boris V. et al. (2012) Prediction of the Dependence of the Fuel Cell Oxygen Reduction Reactions on Operating Voltage from DFT Calculations. Journal of Physical Chemistry C, 116 (10). pp. 6166-6173. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20120418-104721506

2011

Yu, Ted H. and Sha, Yao and Liu, Wei-Guang et al. (2011) Mechanism for Degradation of Nafion in PEM Fuel Cells from Quantum Mechanics Calculations. Journal of the American Chemical Society, 133 (49). pp. 19857-19863. ISSN 0002-7863. https://resolver.caltech.edu/CaltechAUTHORS:20120214-070031098

Sha, Yao and Yu, Ted H. and Merinov, Boris V. et al. (2011) Oxygen Hydration Mechanism for the Oxygen Reduction Reaction at Pt and Pd Fuel Cell Catalysts. Journal of Physical Chemistry Letters, 2 (6). pp. 572-576. ISSN 1948-7185. https://resolver.caltech.edu/CaltechAUTHORS:20110421-152529609

2010

Yu, Ted H. and Sha, Yao and Merinov, Boris V. et al. (2010) Improved Non-Pt Alloys for the Oxygen Reduction Reaction at Fuel Cell Cathodes Predicted from Quantum Mechanics. Journal of Physical Chemistry C, 114 (26). pp. 11527-11533. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20100720-093232084

Han, Sang Soo and Yu, Ted H. and Merinov, Boris V. et al. (2010) Unraveling Structural Models of Graphite Fluorides by Density Functional Theory Calculations. Chemistry of Materials, 22 (6). pp. 2142-2154. ISSN 0897-4756. https://resolver.caltech.edu/CaltechAUTHORS:20100415-110231862

Sha, Yao and Yu, Ted H. and Liu, Yi et al. (2010) Theoretical Study of Solvent Effects on the Platinum-Catalyzed Oxygen Reduction Reaction. Journal of Physical Chemistry Letters, 1 (5). pp. 856-861. ISSN 1948-7185. https://resolver.caltech.edu/CaltechAUTHORS:20100517-132958379

2009

Franck, Jennifer and Yu, Ted and Ochoa-Ricoux, Juan Pedro et al. (2009) Incorporating Scientific Analysis And Problem Solving Skills Into A Physics And Engineering Summer Course. In: 2009 ASEE Annual Conference & Exposition, June 14-17, 2009, Austin, TX. https://resolver.caltech.edu/CaltechAUTHORS:20161122-164716312

This list was generated on Wed Aug 5 07:43:26 2020 PDT.