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Project Grant DEFG0203ER15478
Award Date
9/1/03
Completion Date
8/31/25
Dollars Obligated
$3.9M
Overview
Activity
19
Transactions
19
Subawards
8
Federal Agency
Office of Science
Awardee
University Of Florida (NNFQH1JAPEP3)
Federal Grant Program
81.049
Assistance Type
Project Grant
Place of Performance
Gainesville, FL 32611, USA
Description
Update #1
GROWTH AND REACTIVITY OF OXIDE PHASES ON CRYSTALLINE PD AND PT SURFACES
Posted 9/10/09, 12:00 AM
Mod #
Description
Reason For Modification
Federal Obligation
(Click to sort descending)
Date
(Click to sort ascending)
Not listed
ALKANE OXIDATION ON CLEAN AND HALOGEN-SUBSTITUTED IRO2(110) SURFACES
$750.0k
7/12/24
Not listed
ALKANE OXIDATION ON CLEAN AND HALOGEN-SUBSTITUTED IRO2(110) SURFACES
$0
10/4/23
Not listed
ALKANE OXIDATION ON CLEAN AND HALOGEN-SUBSTITUTED IRO2(110) SURFACES
$0
8/8/23
Not listed
ALKANE OXIDATION ON CLEAN AND HALOGEN-SUBSTITUTED IRO2(110) SURFACES
$0
11/17/22
Not listed
ALKANE OXIDATION ON CLEAN AND HALOGEN-SUBSTITUTED IRO2(110) SURFACES
$0
7/25/22
Grant Number
Description
Subgrantee
Prime Award
Dollars Obligated
(Click to sort descending)
Updated At
(Click to sort ascending)
UFDSP00011243MOD0102S
OXIDATION CHEMISTRY ON PD AND PD-PT OXIDE SURFACES
The Ohio State University
Project Grant DEFG0203ER15478
$186.1k
8/11/18
SUB00001224503S
The work at Ohio State will use density functional theory (DFT) calculations to (1) assist in the interpretation of experimental data (IRAS, STM, and TPD) from Jason Weaver�s group at University of Florida (UF) and (2) test models to identify the important reaction steps on the PdO(101) and develop kinetic Monte Carlo simulations to model alkane (in particular methane) oxidation on the PdO(101) catalyst surface over certain reaction regimes. The kMC model will allow us to explore the connection between atomic-level information developed from UHV experiments and DFT calculations to behavior of PdO catalysts under reaction conditions (i.e. higher pressures and temperatures). The details of the computational work are outlined in detail in the proposal. All stages of the project involve close collaboration with PI Weaver at UF. Asthagiri and Weaver will ensure the continued close collaboration between the theory and experimental sides of this project through regular phone and Skype meetings between the two teams.
The Ohio State University
Project Grant DEFG0203ER15478
$64.7k
9/24/21
SUB0000145906S
THE WORK AT OHIO STATE WILL USE DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS TO (1) ASSIST IN THE INTERPRETATION OF EXPERIMENTAL DATA (IRAS, STM, AND TPD) FROM JASON WEAVERÂ S GROUP AT UNIVERSITY OF FLORIDA (UF) AND (2) TEST MODELS TO IDENTIFY THE IMPORTANT REACTION STEPS ON THE PDO(101) AND DEVELOP KINETIC MONTE CARLO SIMULATIONS TO MODEL ALKANE (IN PARTICULAR METHANE) OXIDATION ON THE PDO(101) CATALYST SURFACE OVER CERTAIN REACTION REGIMES. THE KMC MODEL WILL ALLOW US TO EXPLORE THE CONNECTION BETWEEN ATOMIC-LEVEL INFORMATION DEVELOPED FROM UHV EXPERIMENTS AND DFT CALCULATIONS TO BEHAVIOR OF PDO CATALYSTS UNDER REACTION CONDITIONS (I.E. HIGHER PRESSURES AND TEMPERATURES). THE DETAILS OF THE COMPUTATIONAL WORK ARE OUTLINED IN DETAIL IN THE PROPOSAL. ALL STAGES OF THE PROJECT INVOLVE CLOSE COLLABORATION WITH PI WEAVER AT UF. ASTHAGIRI AND WEAVER WILL ENSURE THE CONTINUED CLOSE COLLABORATION BETWEEN THE THEORY AND EXPERIMENTAL SIDES OF THIS PROJECT THROUGH REGULAR PHONE AND SKYPE MEETINGS BETWEEN THE TWO TEAMS.
The Ohio State University
Project Grant DEFG0203ER15478
$74.6k
8/27/24
SUB00001224501S
The work at Ohio State will use density functional theory (DFT) calculations to (1) assist in the interpretation of experimental data (IRAS, STM, and TPD) from Jason Weaver s group at University of Florida (UF) and (2) test models to identify the important reaction steps on the PdO(101) and develop kinetic Monte Carlo simulations to model alkane (in particular methane) oxidation on the PdO(101) catalyst surface over certain reaction regimes. The kMC model will allow us to explore the connection between atomic-level information developed from UHV experiments and DFT calculations to behavior of PdO catalysts under reaction conditions (i.e. higher pressures and temperatures). The details of the computational work are outlined in detail in the proposal. All stages of the project involve close collaboration with PI Weaver at UF. Asthagiri and Weaver will ensure the continued close collaboration between the theory and experimental sides of this project through regular phone and Skype meetings between the two teams.
The Ohio State University
Project Grant DEFG0203ER15478
$69.3k
7/9/19
UFDSP00010882MOD01S
The work at Ohio State will use density functional theory (DFT) calculations to (1) assist in the interpretation of experimental data (IRAS, STM, and TPD) from Jason Weaver's group at University of Florida (UF) and (2) test models to identify the important reaction steps on the Pd0(101) and develop kinetic Monte Carlo simulations to model alkane (in particular methane) oxidation on the Pd0(101) catalyst surface over certain reaction regimes. The kMC model will allow us to explore the connection between atomic-level information developed from UHV experiments and DFT calculations to behavior of PdO catalysts under reaction conditions (i.e. higher pressures and temperatures). The details of the computational work are outlined in detail in the proposal. All stages of the project involve close collaboration with PI Weaver at UF. Asthagiri and Weaver will ensure the continued close collaboration between the theory and experimental sides of this project through regular phone and Skype meetings between the two teams.
The Ohio State University
Project Grant DEFG0203ER15478
$96.4k
12/13/16