Shentan Chen

Computational Design of Catalysts: The Control of Chemical Transformation to Minimize the Environmental Impact of Chemical Processes

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Capability Research

Catalysis is governed by a delicate balance between a myriad of competing bond making and breaking processes including adsorption, reaction, desorption, and surface diffusion that occur at active…

Ab initio molecular dynamics study of the hydrogen oxidation mechanism by Ni-based catalysts

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Simone Raugei

Project type

Exploratory Research

Abstract. Recent advances in transition-metal-based bio-inspired catalysts obtained in the Energy Frontier Research Center (EFRC) on "Molecular Electrocatalysis" (PI: Dr. Morris Bullock,…

Bioinspired electrocatalysts for small molecule activation.

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Wendy Shaw

Project type

Exploratory Research

The proposed EMSL research is in support of three DOE Basic Energy Sciences research programs that focus on the development of new classes of electrocatalysts for important energy storage and energy…

Bioinspired Electrocatalysts for Energy Storage and Production Reactions.

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Wendy Shaw

Project type

Exploratory Research

Electrocatalysts can convert electrical energy into chemical bonds in fuels, such as H2. In the reverse reaction, electrocatalysts can use the fuel to generate electrical energy on demand. This…

Understanding structure-function relationships for developing catalysts for energy storage and production reactions.

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Wendy Shaw

Project type

Large-Scale EMSL Research

The DOE Basic Energy Sciences Energy Frontier Research Center entitled “Center for Molecular Electrocatalysis” (Bullock), the DOE Basic Energy Sciences “Modular Energy-Based Approach to Molecular…

Projects

Computational Design of Catalysts: The Control of Chemical Transformation to Minimize the Environmental Impact of Chemical Processes

Ab initio molecular dynamics study of the hydrogen oxidation mechanism by Ni-based catalysts

Bioinspired electrocatalysts for small molecule activation.

Bioinspired Electrocatalysts for Energy Storage and Production Reactions.

Understanding structure-function relationships for developing catalysts for energy storage and production reactions.