Molecular Transformations
Molecular Transformations focuses on obtaining a predictive understanding of molecular transformations in biology and chemistry central to energy production, bioconversion such as production of biofuels and bioproducts, biocatalysts such as deconstruction enzymes and bioinspired catalysis, and other processes key to sustainable energy conversion and storage as well as processes that impact the other EMSL science themes.
This predictive understanding requires integration of molecular or macromolecular structure and dynamics studies, computational chemistry and multiscale modeling methods that extend molecular scale understanding to meso-scale system knowledge. This science theme provides a linkage of molecular-scale transformation, measurement and modeling to larger-scale phenomena critical to Department of Energy's Office of Biological and Environmental Research's missions and goals represented in EMSL’s other science themes.
Within this science theme, EMSL will employ our research and that of our users for:
- Solvent-mediated interfacial chemistry: The decadal goal of this theme is to develop sufficient understanding of the dynamic and emergent processes that occur at solvated interfaces to predict the transformation mechanisms and resulting properties needed to design new systems for bio/conversion of bioproduced intermediates and waste material to low-greenhouse gas carbon-based, fuels and chemicals and other molecular transformations needed for sustainable energy conversion and storage. Understanding of molecular transformations at solvated interfaces has broad application across all of EMSL’s science themes.
Molecular Transformations replaces the Energy Materials and Processes (EMP) science theme with a molecular focus that impacts all of the EMSL science themes. EMP focused on the dynamic transformation mechanisms and physical and chemical properties at critical interfaces in catalysts and energy materials needed to design new materials and systems for sustainable energy applications. Read more about the EMP science theme and projects it supported.
Leads
No leads are available at this time.
Instruments
The atmospheric pressure reactor system is designed for testing the efficiency of various catalysts for the treatment of gas-phase pollutants. EMSL...
This unique instrument is capable of measuring gas/solid reaction rates under realistic, high-pressure (∼1 atm) conditions using model, low-surface...
Custodian(s): Janos Szanyi
The Bruker Elexsys 580 electron paramagnetic resonance (EPR) spectrometer performs continuous wave and pulsed magnetic resonance using electron spins...
Custodian(s): Eric Walter
EMSL's non-thermal interfacial reactions instrumentation is available for use in research directed toward understanding non-thermal interfacial...
Custodian(s): Greg Kimmel
The SMSAS is a multi-technique surface analysis instrument based on elemental mapping using either scanning small spot X-rays or the electronics in...
Custodian(s): Shuttha Shutthanandan
Publications
This paper presents a comprehensive characterization study of the microstructural responses to ion irradiation of the oxide dispersion strengthened (...
The ability to acquire high-quality spatially-resolved mass spectrometry data is sought in many fields of study, but it often comes with high cost of...
Metallic uranium is an important material for many applications, especially nuclear energy for low enriched metallic fuel forms and new reactor...
Ferrite perovskites have exhibited promising p-type conductivity and oxygen evolution reaction (OER) activity. In this work, we investigate...
This study examined the solution-phase exchange reactions of triphenylphosphine (PPh3) ligands
on Au8L7
2+ (L = PPh3) clusters with three different...
Science Highlights
Posted: March 19, 2019
From Pacific Northwest National Laboratory's Physical Sciences Division
Researchers working within Pacific Northwest National Laboratory’s (PNNL’s)...
Posted: February 13, 2019
From Pacific Northwest National Laboratory's Physical Sciences Division
For wind and sun power to become renewable energy mainstays, the energy they...
Posted: February 11, 2019
The Science
Fuel cells powered by electrocatalytic reactions have the potential to eliminate pollution caused by burning fossil fuels, if they could...
Posted: January 23, 2019
From Pacific Northwest National Laboratory's Physical Sciences Division
Particles in solution can grow, transport, collide, interact, and aggregate...
Posted: January 23, 2019
From Pacific Northwest National Laboratory's Physical Sciences Division
Dissolved aluminum formed during industrial processing has perplexed chemists...
Instruments
There are no related projects at this time.
Molecular Transformations focuses on obtaining a predictive understanding of molecular transformations in biology and chemistry central to energy production, bioconversion such as production of biofuels and bioproducts, biocatalysts such as deconstruction enzymes and bioinspired catalysis, and other processes key to sustainable energy conversion and storage as well as processes that impact the other EMSL science themes.
This predictive understanding requires integration of molecular or macromolecular structure and dynamics studies, computational chemistry and multiscale modeling methods that extend molecular scale understanding to meso-scale system knowledge. This science theme provides a linkage of molecular-scale transformation, measurement and modeling to larger-scale phenomena critical to Department of Energy's Office of Biological and Environmental Research's missions and goals represented in EMSL’s other science themes.
Within this science theme, EMSL will employ our research and that of our users for:
- Solvent-mediated interfacial chemistry: The decadal goal of this theme is to develop sufficient understanding of the dynamic and emergent processes that occur at solvated interfaces to predict the transformation mechanisms and resulting properties needed to design new systems for bio/conversion of bioproduced intermediates and waste material to low-greenhouse gas carbon-based, fuels and chemicals and other molecular transformations needed for sustainable energy conversion and storage. Understanding of molecular transformations at solvated interfaces has broad application across all of EMSL’s science themes.
Molecular Transformations replaces the Energy Materials and Processes (EMP) science theme with a molecular focus that impacts all of the EMSL science themes. EMP focused on the dynamic transformation mechanisms and physical and chemical properties at critical interfaces in catalysts and energy materials needed to design new materials and systems for sustainable energy applications. Read more about the EMP science theme and projects it supported.