Publications (2020)

  1. Thyagarajan, Raghuram ; Sholl, David S. A Database of Porous Rigid Amorphous Materials , Chemistry of Materials, 32, 8020 - 8033 (2020) [10.1021/acs.chemmater.0c03057]

  2. Korde, Akshay ; Min, Byunghyun ; Ganesan, Arvind ; Yang, Shaowei ; Wang, Zhongzhen ; Grosz, Aristotle ; Jones, Christopher W.; Nair, Sankar AEL Zeolite Nanosheet-Polyamide Nanocomposite Membranes on α-Alumina Hollow Fibers with Enhanced Pervaporation , Industrial & Engineering Chemistry Research, 59, 14789 - 14796 (2020) [10.1021/acs.iecr.0c02327]

  3. Okonkwo, Claudia N.; Fang, Hanjun ; Sholl, David S.; Leisen, Johannes E.; Jones, Christopher W. Effect of Humidity on the Sorption of from Multicomponent Acid Gas Streams on Silica-Supported Sterically Hindered and Unhindered Amines , ACS Sustainable Chemistry & Engineering, 8, 10102 - 10114 (2020) [10.1021/acssuschemeng.0c02012]

  4. Fung, Victor ; Hu, Guoxiang ; Sumpter, Bobby Electronic band contraction induced low temperature methane activation on metal alloys , J. Mater. Chem. A, 8, 6057-6066 (2020) [10.1039/D0TA00375A]

  5. Sharma, Lohit ; Jiang, Xiao ; Wu, Zili ; Baltrus, John ; Rangarajan, Srinivas ; Baltrusaitis, Jonas Elucidating the origin of selective dehydrogenation of propane on γ-alumina under H2S treatment and co-feed , Journal of Catalysis, 394, 142 - 156 (2020) [10.1016/j.jcat.2020.12.018]

  6. Cui, Kai ; Schmidt, J. R. Enabling Efficient and Accurate Computational Studies of MOF Reactivity via QM/MM and QM/QM Method , The Journal of Physical Chemistry C, 124, 10550 - 10560 (2020) [10.1021/acs.jpcc.0c01220] [UNCAGE-ME] more details

  7. Walton, Ian ; Chen, Carmen ; Rimsza, Jessica M.; Nenoff, Tina M.; Walton, Krista S. Enhanced Sulfur Dioxide Adsorption in UiO-66 Through Crystal Engineering and Chalcogen Bonding , Crystal Growth & Design, 20, 6139 - 6146 (2020) [10.1021/acs.cgd.0c00846]

  8. Li, Meijun ; Tian, Mengkun ; Chen, Hao ; Mahurin, Shannon Mark; Wu, Zili ; Dai, Sheng H2O-prompted CO2 capture on metal silicates in situ generated from SBA-15 , RSC Advances, 10, 28731 - 28740 (2020) [10.1039/d0ra02736g]

  9. Mason, Marcos M.; Lee, Zachary R.; Vasiliu, Monica ; Wachs, Israel E.; Dixon, David A. Initial Steps in the Selective Catalytic Reduction of NO with NH3 by TiO2-Supported Vanadium Oxides , ACS Catalysis, 10, 13918 - 13931 (2020) [10.1021/acscatal.0c03693]

  10. Henkelis, Susan E.; Rademacher, David ; Vogel, Dayton J.; Valdez, Nichole R.; Rodriguez, Mark A.; Rohwer, Lauren E.S.; Nenoff, Tina M. Luminescent Properties of DOBDC Containing MOFs: The Role of Free Hydroxyls , ACS Appl. Mater. Interfaces, 12, 22845-22852 (2020) [10.1021/acsami.0c02829]

  11. Henkelis, Susan E.; Huber, Dale L.; Vogel, Dayton J.; Rimsza, Jessica M.; Nenoff, Tina M. Magnetic Tunability in RE-DOBDC MOFs via NOx Acid Gas Adsorption , ACS Appl. Mater. Interfaces, 12, 19504-19510 (2020) [10.1021/acsami.0c01813]

  12. Park, Sang Jae; Kim, Youngjo ; Jones, Christopher W. NaNO3-Promoted Mesoporous MgO for High-Capacity CO2 Capture from Simulated Flue Gas with Isothermal Regeneration , ChemSusChem, 13, 2988 - 2995 (2020) [10.1002/cssc.202000259]

  13. Zhu, Minghui ; Tian, Pengfei ; Ford, Michael E.; Chen, Jiacheng ; Xu, Jing ; Han, Yi-Fan ; Wachs, Israel E. Nature of Reactive Oxygen Intermediates on Copper-Promoted Iron–Chromium Oxide Catalysts during CO2 Activation , ACS Catal., 10, 7857-7863 (2020) [10.1021/acscatal.0c01311]

  14. Bravo, Julio ; Drapanauskaite, Donata ; Sarunac, Nenad ; Romero, Carlos ; Jesikiewicz, Thomas ; Baltrusaitis, Jonas Optimization of energy requirements for CO2 post-combustion capture process through advanced thermal integration , Fuel, 283, 118940 (2020) [10.1016/j.fuel.2020.118940]

  15. Ji, Yaying ; Bai, Shuli ; Xu, Dongyan ; Qian, Dali ; Wu, Zili ; Song, Yang ; Pace, Robert ; Crocker, Mark ; Wilson, Karen ; Lee, Adam ; Harris, Deb ; Scapens, Dave Pd-promoted WO3-ZrO2 for low temperature NOx storage , Applied Catalysis B: Environmental, 264, 118499 (2020) [10.1016/j.apcatb.2019.118499]

  16. Hou, Chenglong ; Kumar, Dharam Raj; Jin, Yu ; Wu, Yusong ; Lee, Jason J.; Jones, Christopher W.; Wang, Tao Porosity and hydrophilicity modulated quaternary ammonium-based sorbents for CO2 capture , Chemical Engineering Journal, 413, 127532 (2020) [10.1016/j.cej.2020.127532]

  17. Batra, Rohit ; Chen, Carmen ; Evans, Tania G.; Walton, Krista S.; Ramprasad, Rampi Prediction of water stability of metal–organic frameworks using machine learning , Nature Machine Intelligence, 2, 704 - 710 (2020) [10.1038/s42256-020-00249-z]

  18. Vogel, Dayton J.; Lee, Zachary R.; Hanson, Caitlin A.; Henkelis, Susan E.; Smith, Caris M.; Nenoff, Tina M.; Dixon, David A.; Rimsza, Jessica M. Predictive Acid Gas Adsorption in Rare Earth DOBDC Metal–Organic Frameworks via Complementary Cluster and Periodic Structure Models , The Journal of Physical Chemistry C, 124, 26801 - 26813 (2020) [10.1021/acs.jpcc.0c08282]

  19. Zhu, Minghui ; Chen, Jiacheng ; Shen, Liang ; Ford, Michael E.; Gao, Jian ; Xu, Jing ; Wachs, Israel E.; Han, Yi-Fan Probing the surface of promoted CuO-Cr2O3-Fe2O3 catalysts during CO2 activation , Applied Catalysis B: Environmental, 271, 118943 (2020) [10.1016/j.apcatb.2020.118943]

  20. Han, Chu ; Yang, Yuhan ; Sholl, David S. Quantitatively Predicting Impact of Structural Flexibility on Molecular Diffusion in Small Pore Metal-Organic Frameworks – A Molecular Dynamics Study of Hypothetical ZIF-8 Polymorphs , The Journal of Physical Chemistry C, 124, 20203 - 20212 (2020) [10.1021/acs.jpcc.0c05942]

  21. Zhang, Xuanyu ; You, Rui ; Wei, Zeyue ; Jiang, Xiao ; Yang, Jiuzhong ; Pan, Yang ; Wu, Peiwen ; Jia, Qingdong ; Bao, Zhenghong ; Bai, Lei ; Jin, Mingzhou ; Sumpter, Bobby ; Fung, Victor ; Huang, Weixin ; Wu, Zili Radical Chemistry and Reaction Mechanisms of Propane Oxidative Dehydrogenation over Hexagonal Boron Nitride Catalysts , Angew. Chem. Int. Ed., 59, 8042-8046 (2020) [10.1002/anie.202002440]

  22. Zuo, Yi ; Yang, Liqian ; Jiang, Xiao ; Ma, Mengtong ; Wang, Yanli ; Liu, Min ; Song, Chunshan ; Guo, Xinwen Role of Recrystallization in Alkaline Treatment on the Catalytic Activity of 1‐Butene Epoxidation , ChemCatChem, 12, 6196 - 6204 (2020) [10.1002/cctc.202001480]

  23. Okonkwo, Claudia N.; Lee, Jason J.; De Vylder, Anton ; Chiang, Yadong ; Thybaut, Joris W.; Jones, Christopher W. Selective removal of hydrogen sulfide from simulated biogas streams using sterically hindered amine adsorbents , Chemical Engineering Journal, 379, 122349 (2020) [10.1016/j.cej.2019.122349]

  24. Pretti, Evan ; Ludy, John ; Pico, Carlos ; Baltrusaitis, Jonas Simultaneous Process Design of a Cooled Tubular Fischer–Tropsch Reactor , Energy Technology, 8, 2000683 (2020) [10.1002/ente.202000683]

  25. Hanna, Sylvia L.; Rademacher, David X.; Hanson, Donald J.; Islamoglu, Timur ; Olszewski, Alyssa K.; Nenoff, Tina M.; Farha, Omar K. Structural Features of Zirconium-Based Metal–Organic Frameworks Affecting Radiolytic Stability , Industrial & Engineering Chemistry Research, 59, 7520 - 7526 (2020) [10.1021/acs.iecr.9b06820]

  26. Li, Zaichao ; Jiang, Xiao ; Xiong, Guang ; Nie, Binjian ; Liu, Chunyan ; He, Ning ; Liu, Jiaxu Towards the preparation of binderless ZSM-5 zeolite catalysts: the crucial role of silanol nests , Catalysis Science & Technology, 10, 7829 - 7841 (2020) [10.1039/d0cy01289k]

  27. Vogel, Dayton J.; Nenoff, Tina M.; Rimsza, Jessica M. Tuned Hydrogen Bonding in Rare Earth MOFs for Design of Optical and Electronic Properties: An Exemplar Study of Y-DOBDC , ACS Appl. Mater. Interfaces, (2020) [10.1021/acsami.9b20513]

  28. Huang, Yi ; Jiao, Yang ; Chen, Ting ; Gong, Yutao ; Wang, Songcheng ; Liu, Yang ; Sholl, David S.; Walton, Krista S. Tuning the Wettability of Metal–Organic Frameworks via Defect Engineering for Efficient Oil/Water Separation , ACS Appl. Mater. Interfaces, 12, 34413-34422 (2020) [10.1021/acsami.0c08803]

  29. Fernandez, Vincent ; Fairley, Neal ; Baltrusaitis, Jonas Unraveling spectral shapes of adventitious carbon on gold using a time-resolved high-resolution X-ray photoelectron spectroscopy and principal component analysis , Applied Surface Science, 538, 148031 (2020) [10.1016/j.apsusc.2020.148031]

  30. Lee, Zachary; Flores, Luis; Copeland, William; Murphy, Julia; Dixon, David. Reaction of NO2 with Groups IV and VI Transition Metal Oxide Clusters, J. Phys. Chem. A, 124, 9222-9236 (2020) [https://doi.org/10.1021/acs.jpca.0c06760]

  31. Marti, Robert; Sarou-Kanian, Vincent; Moran, Colton; Walton, Krista; Hayes, Sophia. NMR Crystallography of Aluminum Carbide: Impurities in the Reagent and Improved 27Al NMR Tensors, J. Phys. Chem. C, 124, 7238-7243 (2020) [https://doi.org/10.1021/acs.jpcc.9b11579]

  32. Hu, Yiqin; Persaud, Rudradatt; Vasiliu, Monica; Dixon, David. Different Carbonate Isomers Formed by the Addition of CO2 to M3O6– for M = Ti, Zr, and Hf, J. Phys. Chem. A, 124, 5402-5407 (2020) [https://doi.org/10.1021/acs.jpca.0c03836]

  33. Boyuk, Dmitriy; Hu, Weize; Hui, Ho Yee; Filler, Michael. Surface plasmon driven near- and midinfrared photoconductivity in ligand-free ITO nanocrystal films, J. Vac. Sci. Technol. A, 38, 022420 (2020) [https://doi.org/10.1116/1.5139310]

  34. Zhu, Guanghui; Kim, Chiho; Chandrasekarn, Anand; Everett, Joshua; Ramprasad, Rampi; Lively, Ryan. Polymer genome–based prediction of gas permeabilities in polymers, J. Polym. Eng., 40(6), 451-457 (2020) [https://doi.org/10.1515/polyeng-2019-0329]

  35. Rimsza, Jessica; Chapman, Karena; Nenoff, Tina. Energetics and Structure of Ag–Water Clusters Formed in Mordenite, J. Phys. Chem. C, 124, 4517–4524 (2020) [https://doi.org/10.1021/acs.jpcc.9b08983]

  36. Jiang, Xiao; Nie, Xiaowa; Gong, Yutao; Moran, Colton; Wang, Jianyang; Zhu, Jie; Chang, Huibin; Guo, Xinwen; Walton, Krista; Song, Chunshan. A combined experimental and DFT study of H2O effect on In2O3/ZrO2 catalyst for CO2 hydrogenation to methanol, J. Catal., 383, 283-296 (2020) [https://doi.org/10.1016/j.jcat.2020.01.014]

  37. Sholl, David. Watching Water, Sodium, and Chloride Passing through a Graphitic Pore, Matter, 2, 519-525 (2020) [https://doi.org/10.1016/j.matt.2020.02.005]