Publications

2017

Taifan, W.; Baltrusaitis, J. “Minireview: Direct catalytic conversion of sour natural gas (CH4+H2S+CO2) components to high value chemicals and fuels” Catal. Sci. Technol., Accepted (2017). [DOI 10.1039/C7CY00272F]
 
Li, G.; Shang, J.; Gu, Q.; Awati, R. V.; Jensen, N.; Grant, A.; Zhang, X.; Sholl, D. S.; Liu, J. Z.; Webley, P. A.; May, E. F. “Temperature-regulated guest admission and release in microporous materials nature communications” Nat. Commun., [DOI: 10.1038/ncomms15777]
 
Liu, F. J.; Huang, K.; Wu, Q.; Dai, S. “Solvent-Free Self-Assembly to the Synthesis of Nitrogen-Doped Ordered Mesoporous Polymers for Highly Selective Capture and Conversion of CO2” Adv. Mater., Accepted (2017). [DOI: 10.1002/adma.201700445]


Forman, E. M.; Pimentel, B. R.; Ziegler, K. J.; Lively, R. P.; Vasenkov, S. “Microscopic diffusion of pure and mixed methane and carbon dioxide in ZIF-11 by high field diffusion NMR” Microporous Mesoporous Mater., 248, 158-163 (2017).  [DOI: 10.1016/j.micromeso.2017.04.041]

Potter, M. E.; Cho, K. M.; Lee, J. L.; Jones, C. W. "Role of Alumina Basicity in CO2 Uptake in 3-Aminopropylsilyl-grafted Alumina Adsorbents" ChemSusChemAccepted (2017). [DOI:10.1002/cssc.201700115]

Jaegers, N. R.; Wan, C.; Hu, M. Y.; Vasiliu, M.; Dixon, D. A.; Walter, E.; Wachs, I. E.; Wang, Y.; Hu, J. Z. “Investigation of Silica-Supported Vanadium Oxide Catalysts by High-Field 51V Magic-Angle Spinning NMR” J. Phys. Chem. C, 121, 6246-6254 (2017).​ [DOI: 10.1021/acs.jpcc.7b01658​]

Haiges R.; Deokar, P.; Vasiliu, M.; Stein, T. H.; Dixon, D. A.; Christe K. O. “Preparation and Characterization of Novel Group 13 Cyanides” Chem. Eur. J., Accepted (2017). [DOI: 10.1002/chem.201700611]

Pang, S. H.; Lee, L.-C.; Sakwa-Novak, M. A.; Lively, R. P.; Jones, C. W. “Design of Aminopolymer Structure to Enhance Performance and Stability of CO2 Sorbents: Poly(propylenimine) vs. Poly(ethylenimine)” J. Am. Chem. Soc., 139, 3627-3630 (2017). [DOI: 10.1021/jacs.7b00235]​

Howe, J. D.; Liu, Y.; Flores, L.; Dixon, D. A.; Sholl, D. S. “Acid Gas Adsorption on Metal-Organic Framework Nanosheets as a Model of an “All-Surface” Material” J. Chem. Theory Comput., 13, 1341-1350 (2017). [DOI: 10.1021/acs.jctc.7b00041

Huang, K.; Liang, L.; Chai, S.-H.; Tumuluri, U.; Li, M.; Wu, Z.; Sumpter, B. G.; Dai, S. “Aminopolymer Functionalization of Boron Nitride Nanosheets for Highly Efficient Capture of Carbon Dioxide” J. Mater. Chem. A, In Press (2017). [DOI: 10.1039/C7TA00644F]​

​Joshi, J. N.; Garcia-Gutierrez, E. Y.; Moran, C. M.; Deneff, J. I.; Walton, K. S. “Engineering Copper Carboxylate Functionalities on Water Stable Metal-Organic Frameworks for Enhancement of Ammonia Removal Capacities” J. Phys. Chem. C, 121, 3310-3319 (2017). [DOI: 10.1021/acs.jpcc.6b08610] ​

​Chakrabarti, A.; Ford, M. E.; Gregory, D.; Hu, R.; Keturakis, C. J.; Lwin, S.; Tang, Y.; Yang, Z.; Zhu, M.; Bañares, M. A.; Wachs, I. E. “A Decade+ of Operando Spectroscopy Studies” Catal. Today, 283, 27-53 (2017). [DOI: 10.1016/j.cattod.2016.12.012] ​

Barkakaty, B.; Sumpter, B. G.; Ivanov, I. N.; Potter, M. E.; Jones, C. W.; Lokitz, B. S. “Emerging Technologies for Lowering Atmospheric Carbon” Environmental Technology & Innovation7, 30-43 (2017). [DOI10.1016/j.eti.2016.12.001]

Potter, M. E.; Pang, S. H.; Jones, C. W. “Adsorption 
Microcalorimetry of CO2 in Confined Aminopolymers Langmuir33, 117-124 (2017). [DOI: 10.1021/acs.langmuir.6b03793]​

Moran, C. M.; Marti, R. M.; Hayes, S. E.; Walton, K. S. “Synthesis and Characterization of Aluminum Carbide-Derived Carbon with Residual Aluminum Based Nanoparticles” Carbon, 114, 482-495 (2017). [DOI:  10.1016/j.carbon.2016.11.083] ​

Dutzer, M. R.; Mangarella, M. C.; Shott, J. A.; Dai, S.; Walton, K. S. “The Effects of Reactor Design on the Synthesis of Titanium Carbide-Derived Carbon” Chem. Eng. Sci.160, 191-199 (2017). [DOI: 10.1016/j.ces.2016.11.019]​

Howe, J. D.; Morelock, C. R.; Jiao, Y.; Chapman, K. W.; Walton, K. S.; Sholl, D. S. “Understanding Structure, Metal Distribution, and Water Adsorption in Mixed-Metal MOF-74” J. Phys. Chem. C, 121, 627-635 (2017). [DOI: 10.1021/acs.jpcc.6b11719]​

Zhang, D.; Dutzer, M. R.; Liang, T.; Fonseca, A. F.; Wu, Y.; Walton, K. S.; Sholl, D. S.; Farmahini, A. H.; Bhatia, S. K.; Sinnott, S. B. “Computational Investigation on CO2 Adsorption in Titanium Carbide-Derived Carbons with Residual Titanium” Carbon111, 741-751 (2017). [DOI: 10.1016/j.carbon.2016.10.037]​

2016

Heinen, J.; Burtch, N. C.; Walton, K. S.; Guerra, C. F.; Dubbeldam, D. “Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory" Chem. Eur. J., 22, 18045-18050 (2016). [DOI: 10.1002/chem.201603895

Liu, F. J.; Huang, K.;Yoo, C.-J.; Okonkwo, C.; Tao, D.-J.; Jones, C. W.; Dai, S. “Facilely Synthesized Meso-Macroporous Polymer as Support of Poly(ethyleneimine) for Highly Efficient and Selective Capture of CO2Chem. Eng. J., 314, 466-476 (2017). [DOI: 10.1016/j.cej.2016.12.004]​

Han, R.; Sholl. D.S. “Computational Model and Characterization of Stacking Faults in ZIF-8 Polymorphs” J. Phys. Chem. C, 120, 27380-27388 (2016). [DOI: 10.1021/acs.jpcc.6b09317]​

Mounfield III, W. P.; Han, C.; Pang, S. H.; Tumuluri, U.; Jiao, Y.; Bhattacharyya, S.; Dutzer, M. R.; Nair, S.; Wu, Z.; Lively, R. P.; Sholl, D. S.; Walton, K. S. “Synergistic Effects of Water and SO2 on Degradation of MIL-125 in the Presence of Acid Gases” J. Phys. Chem. C, 120, 27230-27240 (2016). [DOI: 10.1021/acs.jpcc.6b09264]

Bhattacharyya, S.; Pang, S. H.; Dutzer, M. R.; Lively, R. P.; Walton, K. S.; Sholl, D. S.; Nair, S. “Interactions of SO2-Containing Acid Gases with ZIF-8: Structural Changes and Mechanistic Investigations” J. Phys. Chem. C, 120, 27221-27229​ (2016). [DOI: 10.1021/acs.jpcc.6b09197] ​


Taifan, W.; Boily, J.-F.; Baltrusaitis, J. “Surface Chemistry of Carbon Dioxide Revisited” Surf. Sci. Rep., 71, 595-671 (2016). [DOI: 10.1016/j.surfrep.2016.09.001]

Pang, S. H.; Han, C.; Sholl, D. S.; Jones, C. W.; Lively, R. P. "Facet-Specific Stability of ZIF-8 in the Presence of Acid Gases Dissolved in Aqueous Solutions" Chem. Mater., 28, 6960-6967​ (2016). [DOI: 10.1021/acs.chemmater.6b02643]​

Liu, F. J.; Huang, K.; Ding, S.; Dai, S. “One-Step Synthesis of Nitrogen-Doped Graphene-Like Meso-Macroporous Carbons as Highly Efficient and Selective Absorbents for CO2 Capture” J. Mater. Chem. A, 4, 14567-14571​ (2016). [DOI: 10.1039/C6TA06583J]​

Sanz-Pérez, E. S.; Murdock, C. R.; Didas, S. A.; Jones, C.W. “Direct Capture of CO2 from Ambient Air” Chem. Rev., 116, 11840-11876​ (2016).​ [DOI: ​10.1021/acs.chemrev.6b00173]

Chen, M.; Straatsma, T. P.; Fang, Z.; Dixon, D. A. “A Structural and Electronic Property Study of (ZnO)n, n≤168: The Transition from Zinc Oxide Molecular Clusters to Ultra-Small Nanoparticles” J. Phys. Chem. C, 120, 20400-20418 (2016).​ [DOI: 10.1021/acs.jpcc.6b06730]

Huang, K.; Liu, F. J.; Dai, S. “Solvothermal Synthesis of Hierarchically Nanoporous Organic Polymers with Tunable Nitrogen Functionality for Highly Selective Capture of CO2J. Mater. Chem. A, 4, 13063-13070 (2016). [DOI: 10.1039/C6TA04851J]​

Zhang, F.; Yang, F.; Huang, J.; Sumpter, B. G.; Qiao, R. “Thermodynamics and Kinetics of Gas Storage in Porous Liquids” J. Phys. Chem. B, 120, 7195-7200 (2016). [DOI: 10.1021/acs.jpcb.6b04784]​

Taborga Claure, M.; Lee, L.-C.; Goh, J. W.; Gelbaum, L. T.; Agrawal, P. K.; Jones, C. W. "Assessing C3-C4 Alcohol Synthesis Pathways over a MgAl Oxide Supported K/MoS2 Catalyst via 13C2-Ethanol and 13C2-Ethylene Co-Feeds” J. Mol. Catal. A: Chem., 423, 224-232 (2016). [DOI: 10.1016/j.molcata.2016.06.025]​


Zhu, G.; Hoffman, C. D.; Liu, Y.; Bhattacharyya, S.; Tumuluri, U.; Jue, M. L; Wu, Z.; Sholl, D. S.; Nair, S.; Jones, C. W.; Lively, R. P. “Engineering Porous Organic Cage Crystals with Increased Acid Gas Resistance” Chem. Eur. J., 22, 10743-10747 (2016). [DOI: 10.1002/chem.201601659]​

Chai, S.-H., Liu, Z.-M., Huang, K., Tan, S., Dai, S. “Amine Functionalization of Microsized and Nanosized Mesoporous Carbons for Carbon Dioxide Capture” Ind. Eng. Chem. Res., 55, 7355-7361 (2016). [DOI: 10.1021/acs.iecr.6b00823]​

Liang, T.; Ashton, M.; Choudhary, K.; Zhang, D.; Fonseca, A. F.; Revard, B. C.; Hennig, R. G.; Phillpot, S. R.; Sinnott, S. B.  “Properties of Ti/TiC Interfaces from Molecular Dynamics Simulations” J. Phys. Chem. C, 120, 12530-12538 (2016). [DOI: 10.1021/acs.jpcc.6b02763]​

Mounfield III, W. P.; Taborga Claure, M.; Agrawal, P. K.; Jones, C. W; Walton, K. S. “Synergistic Effect of Mixed Oxide on the Adsorption of Ammonia with Metal-Organic Frameworks” Ind. Eng. Chem. Res., 55, 6492-6500 (2016). [DOI: 10.1021/acs.iecr.6b01045]​

Huang, K.; Chai, S.-H., Mayes, R. T.; Tan, S.; Jones, C. W.; Dai, S. “Significantly Increasing Porosity of Mesoporous Carbon by NaNH2 Activation for Enhanced CO2 Adsorption” Microporous Mesoporous Mater., 230, 100-108 (2016). [DOI: 10.1016/j.micromeso.2016.04.041]​

He, Y.; Ford, M. E.; Zhu, M.; Liu, Q.; Tumuluri, U.; Wu, Z.; Wachs, I. E. “Influence of Synthesis Method on Selective Catalytic Reduction (SCR) of NO by NH3 with V2O5-WO3/TiO2 Catalysts” Appl. Catal. B, 193, 141-150 (2016). [DOI: 10.1016/j.apcatb.2016.04.022]​

​Qu, C.; Jiao, Y.; Zhao, B.; Chen, D.; Zou, R.; Walton, K.S.; Liu, M. "Nickel-based Pillared MOFs for High-performance Supercapacitors: Design, Synthesis and Stability Study” Nano Energy, 26, 66-73 (2016). [DOI: 10.1016/j.nanoen.2016.04.003]​

Lively, R. P.; Realff, M. J. “On Thermodynamic Separation Efficiency: Adsorption Processes” AIChE J., 62, 3699-3705 (2016). [DOI: 10.1002/aic.15269]​

Tumuluri, U.; Rother, G.; Wu, Z. “Fundamental Understanding of Acid Gases Interaction with CeO2: From Surface Science to Practical Catalysis” Ind. Eng. Chem. Res., 55, 3909-3919 (2016). [DOI: 10.1021/acs.iecr.5b05014]​

Carrillo, J.-M. Y.; Sakwa-Novak, M. A.; Holewinski, A.; Potter, M. E.; Rother, G.; Jones, C. W.; Sumpter, B. G. “Unraveling the Dynamics of Aminopolymer/Silica Composites” Langmuir, 32, 2617-2625 (2016). [DOI:​10.1021/acs.langmuir.5b04299]

​Mounfield III, W. P.; Tumuluri, U.; Jiao, Y.; Li, M.; Dai, S.; Wu, Z.; Walton, K. S. “Role of Defects and Metal Coordination on Adsorption of Acid Gases in MOFs and Metal Oxides: An In situ IR Spectroscopic Study” Microporous Mesoporous Mater., 227, 65-75 (2016).​ [DOI: 10.1016/j.micromeso.2016.02.023]

Barkakaty, B; Browning, K. L.; Sumpter, B.; Uhrig, D.; Karpisova, I.; Harman, K. W.; Ivanov, I.; Messman, Hensley, D. K.; J. M.; Kilbey, S. M.; Lokitz, B. S. “Amidine-Functionalized Poly(2 vinyl-4,4-dimethylazlactone) for Selective and Efficient CO2 Fixing” Macromolecules, 49, 1523-1531 (2016). 
[DOI: 10.1021/acs.macromol.5b02483]


He, Y.; Ford, M. E.; Zhu, M.; Liu, Q.; Wu, Z.; Wachs, I. E. “Selective Catalytic Reduction of NO by NH3 with WO3-TiO2 Catalysts: Influence of Catalyst Synthesis Method” Appl. Catal. B- Environ., 188, 123-133. [DOI​: 10.1016/j.apcatb.2016.01.072]

Fang, Z.; Thanthiriwatte, K. S.; Dixon, D. A.; Andrews, L.; Wang, X. “Properties of Cerium Hydroxides from Matrix Infrared Spectra and Electronic Structure Calculations” Inorg. Chem., 55, 1702-1714 (2016). [DOI: 10.1021/acs.inorgchem.5b02619]​

Zhang, C.; Han, C.; Sholl, D. S.; Schmidt, J. R. “Computational Characterization of Defects in Metal-Organic Frameworks: Spontaneous and Water-induced Point Defects in ZIF-8” J. Phys. Chem. Lett., 7, 459-464 (2016).​ [DOI: 10.1021/acs.jpclett.5b02683]

Fonseca, A. F.; Liang, T.; Zhang, D.; Choudhary, K.; Sinnott, S. B. “Probing the Accuracy of Reactive and Non-Reactive Force Fields to Describe Physical and Chemical Properties of Graphene-Oxide” Comp. Mater. Sci., 114, 236-243 (2016).​ [DOI: 10.1016/j.commatsci.2015.12.030]

2015

Pang, S. H.; Jue, M. L.; Leisen, J.; Jones, C. W.; Lively, R. P. “PIM-1 as a Solution-Processable “Molecular Basket” for CO2 Capture from Dilute Sources,” ACS Macro Lett., 4, 1415-1419 (2015). [DOI: 10.1021/acsmacrolett.5b00775]​

Tumuluri, U.; Li, M.; Cook, B. G.; Sumpter, B. G.; Dai, S.; Wu, Z. “Surface Structure Dependence of SO2 Interaction with Ceria Nanocrystals with Well-Defined Surface Facets” J. Phys. Chem. C, 119, 28895-28905​ (2015).​ [DOI: 10.1021/acs.jpcc.5b07946]

​Jiao, Y.; Morelock, C. R.; Burtch, N. C.; Mounfield III, W. P.; Hungerford, J.; Walton, K. S. “Tuning the Kinetic Water Stability and Adsorption Interactions of Mg-MOF-74 by Partial Substitution with Co or Ni” Ind. Eng. Chem. Res., 54, 12408-12414 (2015). [DOI: 10.1021/acs.iecr.5b03843]

​Taborga Claure, M.; Morrill, M. R.; Goh, J. W.; Chai, S.-H.; Dai, S.; Agrawal, P. K.; Jones, C. W. "Insight into Reaction Pathways in CO Hydrogenation Reactions over K/MoS​2 Supported Catalysts via Alcohol/Olefin Co-Feed Experiments" Catal. Sci. Tech., 6, 1957-1966 (2016). [DOI: 10.1039/C5CY01587A]

Kraemer, S.; Rondinone, A. J.; Tsai, Y.-T.; Schwartz, V.; Overbury, S. H.; Wu, Z. “Oxidative Dehydrogenation of Isobutane over Vanadia Catalysts Supported by Titania Nanoshapes” Catal. Today, 263, 84-90 (2016). [DOI: 10.1016/j.cattod.2015.09.049]​

Burtch, N. C.; Walton, K. S. “Modulating Adsorption and Stability Properties in Pillared Metal Organic Frameworks: A Model System for Understanding Ligand Effects” Acc.Chem. Res., 48, 2850-2857 (2015). [DOI:10.1021/acs.accounts.5b00311]​


Sakwa-Novak, M. A.; Tan, S.; Jones, C. W. ”Role of Additives in Composite PEI/Oxide CO2 Adsorbents: Enhancement in the Amine Efficiency of Supported PEI by PEG in CO2 Capture from Simulated Ambient Air” ACS Appl. Mater. Interfaces, 7, 24748-24759 (2015). [DOI: 10.1021/acsami.5b07545]

Chen, M.; Straatsma, T. P.; Dixon, D. A. “Molecular and Dissociative Adsorption of Water on (TiO2)n Clusters, n = 1 to 4” J. Phys. Chem. A, 119, 11406-11421 (2015). [DOI: 10.1021/acs.jpca.5b07697]

Huang, K.; Chai, S.-H.; Mayes, R. T.; Veith, G. M.; Browning, K. L.; Sakwa-Novak, M. A.; Potter, M. E.; Jones, C.W.; Wu, Y.-T.; Dai, S. “An Efficient Low-Temperature Route to Nitrogen-Doping and Activation of Mesoporous Carbon for CO2 Capture” Chem. Commun., 51, 17261-17264 (2015). [DOI: 
10.1039/C5CC05619E]

Li, M.; Tumuluri, U.; Wu, Z.; Dai, S. “Effect of Dopants on the Adsorption of Carbon Dioxide on Ceria Surfaces” ChemSusChem, 8, 3651-3660 (2015).​ [DOI: 10.1002/cssc.201500899]

Walton, K. S.; Sholl, D. S. "Predicting Multicomponent Adsorption: 50 Years of the Ideal Adsorbed Solution Theory" AIChE J., 69, 2757-2762 (2015). [DOI: 10.1002/aic.14878


Holewinski, A.; Sakwa-Novak, M. A.; Jones, C. W. “Linking CO2 Sorption Performance to Polymer Morphology in Aminopolymer/Silica Composites through Neutron Scattering” J. Am. Chem. Soc., 137, 11749-11759 (2015). [DOI: 10.1021/jacs.5b06823​] 

Sholl, D. S.; Lively, R. P. "Defects in Metal-Organic Frameworks - Challenge or Opportunity?" J. Phys. Chem. Lett., 6, 3437-3444 (2015). [DOI: 10.1021/acs.jpclett.5b01135]

Sakwa-Novak​, M. A.; Holewinski, A.; Hoyt, C. B.; Yoo, C.-J.; Chai, S.-H.; Dai, S.; Jones, C. W. “Probing the Role of Zr Addition vs. Textural Properties in Enhancement of CO2 Adsorption Performance in Silica/PEI Composite Sorbents” Langmuir, 31, 9356-9365 (2015). [DOI: 10.1021/acs.langmuir.5b02114]

Rezaei, F.; Rownaghi, A. A.; Monjezi, S.; Lively, R. P.; Jones, C. W. "SOx/NOx Removal from Flue Gas Streams by Solid Adsorbents: A Review of Current Challenges and Future Directions" Energy Fuels, 29, 5467-5486 (2015). [DOI: 10.1021/acs.energyfuels.5b01286]


Farmahini, A.; Sholl, D. S.; Bhatia, S. K. "Fluorinated Carbide-Derived Carbon: More Hydrophilic, Yet Apparently More Hydrophobic" J. Am. Chem. Soc., 137, 5969-5979 (2015). [DOI: 10.1021/jacs.5b01105]

Nie, X.; Kulkarni, A.; Sholl, D. S. "Computational Prediction of Metal Organic Frameworks Suitable for Molecular Infiltration as a Route to Development of Conductive Materials" J. Phys. Chem. Lett., 6, 1586-1591 (2015). [DOI: 10.1021/acs.jpclett.5b00298]

Taborga Claure, M.; Chai, S.-H.; Dai, S.; Unocic, K.; Alamgir, F. M.; Agrawal, P. K.; Jones, C. W. "Tuning of Higher Alcohol Selectivity and Productivity in CO Hydrogenation Reactions over K/MoS​2 Domains Supported on Mesoporous Activated Carbon and Mixed MgAl Oxide" J. Catal., 324, 88-97 (2015). [DOI: 10.1016/jcat.2015.01.015]

 
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