David S. Sholl

Oak Ridge National Laboratory — United States

Chemistry · Physical Sciences

98h-index40.0kcitations609works6.42yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(201), Zeolite Catalysis and Synthesis(97), Advanced Chemical Physics Studies(81), Membrane Separation and Gas Transport(79), Carbon Dioxide Capture Technologies(77)

Publications609 total

Establishing Product Concentration Benchmarks for Two Step Tandem Electrochemical Conversion of CO2 to C2H4
2026Open Access
Examination of Replicate Syntheses of Metal Organic Frameworks as a Window into Reproducibility in Materials Chemistry
The Journal of Physical Chemistry C·2026Open Access
Direct air capture enables sustainable hydrocarbon production in water-scarce regions
2025Open Access
Separation of Linear and Cyclic Siloxanes in Pure Silica Zeolites
The Journal of Physical Chemistry C·2025Open Access
Simulated Moving Bed Process for CO <sub>2</sub> Capture from Humid Postcombustion Flue Gases Using MUF-16
ACS Applied Materials & Interfaces·2025Open Access
Energy-efficient carbon capture from industrial point sources via commercially available green solvent and hollow fiber membrane contactors
Chemical Engineering Journal·2025· 2 cited
Investigation of the Effect of Framework Flexibility on CO <sub>2</sub> Adsorption in SIFSIX-3-Cu Using a Machine-Learned Force Field
The Journal of Physical Chemistry C·2025· 1 cited
Computational Analysis of the Energetic Stability of High-Entropy Structures of a Prototypical Lanthanide-Based Metal–Organic Framework
The Journal of Physical Chemistry C·2025Open Access
Spatially resolved reaction environments in mechanochemical upcycling of polymers
Chem·2025· 2 cited
Thermodynamic Labeling Enables CO<sub>2</sub> Prediction in Polymers of Intrinsic Microporosity under Small Data Constraints
Macromolecular Rapid Communications·2025· 1 cited
Catalytic Oxygen Reduction for Deep O <sub>2</sub> Removal from CO <sub>2</sub> Streams
ACS ES&T Engineering·2025
Comparing Classical and Machine Learning Force Fields for Modeling Deformation of Metal–Organic Frameworks Relevant for Direct Air Capture
The Journal of Physical Chemistry C·2025· 5 citedOpen Access
Equilibrium Separation of Siloxanes in Metal–Organic Frameworks
The Journal of Physical Chemistry C·2025· 1 citedOpen Access
D–MOPH–25: diverse MOF–molecule pairs for Henry’s constants prediction <sup>*</sup>
Machine Learning Science and Technology·2025Open Access
Author response for "D-MOPH-25: Diverse MOF-molecule Pairs for Henry's Constants Prediction"
2025
A Transferable Force Field for Predicting Adsorption and Diffusion of Water in Cationic Zeolites with Coupled Cluster Accuracy
ACS Physical Chemistry Au·2025Open Access
Author response for "D-MOPH-25: Diverse MOF-molecule Pairs for Henry's Constants Prediction"
2025
Entropy-Driven Porous Liquids Allowing Gas Solubility in Solvent-Filled Imine-Based Porous Organic Cages
The Journal of Physical Chemistry B·2025Open Access
Investigation of the Effect of Framework Flexibility on CO2 Adsorption in SIFSIX-3-Cu using a Machine Learned Force Field
2025
Correction to “Could The Chemical Industry Mitigate Rapid Global Cooling From A Catastrophic Volcanic Eruption?”
AIChE Journal·2025· 1 citedOpen Access
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Frequent Co-authors

J. Karl Johnson(8), Ryan P. Lively(6), Anastasios I. Skoulidas(6), Christopher W. Jones(6), Sankar Nair(6), Seda Keskın(5), Emmanuel Haldoupis(4), Randall Q. Snurr(4), Yongchul G. Chung(3), Maciej Harańczyk(3), Jeffrey S. Camp(3), Krista S. Walton(3), Taku Watanabe(3), Janice A. Steckel(2), Omar K. Farha(2), Thomas A. Manz(2), Ke Zhang(2), R. R. Chance(2), William J. Koros(2), Lalit A. Darunte(2)