Jan Steckel

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Wei Shi (石偉)National Energy Technology LaborotoryVerified email at netl.doe.gov
Nicholas SiefertResearch Engineer, DOE National EnergyTechnology Laboratory, & Teaching Professor, Carnegie MellonVerified email at andrew.cmu.edu
Samir BudhathokiBattelle Memorial InstituteVerified email at netl.doe.gov
Christopher WilmerChemical & Petroleum Engineering, University of PittsburghVerified email at pitt.edu
Ali Kemal SekizkardesU.S Department of Energy National Energy Technology LaboratoryVerified email at netl.doe.gov
Victor A KusumaPostdoctoral Research Scholar, US DOE National Energy Technology LaboratoryVerified email at contr.netl.doe.gov
Kathryn SmithIndependent Contractor (NETL) & Honorary Research Fellow (University of Melbourne)Verified email at unimelb.edu.au
Husain E. AshkananiKuwait UniversityVerified email at ku.edu.kw
Badie I. MorsiProfessor of Chemical and Petroleum Engineering, University of PittsburghVerified email at pitt.edu
Isaac K. GamwoU.S. Department of Energy, National Energy Technology laboratoryVerified email at netl.doe.gov
Jeffrey CulpNational Energy Technology Laboratory / AECOMVerified email at netl.doe.gov
Olukayode AjayiBrewer ScienceVerified email at brewerscience.com
David R LuebkeAristoSys, LLCVerified email at aristosys-llc.com
Shouliang YiNational Energy Technology LaboratoryVerified email at netl.doe.gov
Moushumi SarmaAssociate Research Scientist at CAER, university of KentuckyVerified email at uky.edu
Kunlei LiuAssociate Director, University of Kentucky Center for Applied Energy Research,Verified email at uky.edu
Jesse ThompsonUniversity of KentuckyVerified email at uky.edu
Katherine HornbostelAssistant Professor, University of PittsburghVerified email at pitt.edu
Nathaniel L. RosiProfessor and Covestro Endowed Chair of Chemistry, University of PittsburghVerified email at pitt.edu
Petr NachtigallProfessor of Physical Chemistry, Charles UniversityVerified email at natur.cuni.cz

Jan Steckel

Department of Energy, National Energy Technology Laboratory

Verified email at pitt.edu

Materials Research


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Density functional theory: a practical introduction DS Sholl, JA Steckel John Wiley & Sons, 2022	2326	2022
Theoretical and Experimental Studies of CO₂ and H₂ Separation Using the 1-Ethyl-3-methylimidazolium Acetate ([emim][CH₃COO]) Ionic Liquid W Shi, CR Myers, DR Luebke, JA Steckel, DC Sorescu The Journal of Physical Chemistry B 116 (1), 283-295, 2012	84	2012
Density functional theory study of mercury adsorption on metal surfaces JA Steckel Physical Review B 77 (11), 115412, 2008	81	2008
High-throughput computational prediction of the cost of carbon capture using mixed matrix membranes S Budhathoki, O Ajayi, JA Steckel, CE Wilmer Energy & Environmental Science 12 (4), 1255-1264, 2019	78	2019
Ab Initio Calculations of the Interaction between CO₂ and the Acetate Ion JA Steckel The Journal of Physical Chemistry A 116 (47), 11643-11650, 2012	56	2012
Concerted use of slab and cluster models in an ab initio study of hydrogen desorption from the Si (100) surface JA Steckel, T Phung, KD Jordan, P Nachtigall The Journal of Physical Chemistry B 105 (18), 4031-4038, 2001	54	2001
CO adsorption on the CO-precovered Pt (111) surface characterized by density-functional theory JA Steckel, A Eichler, J Hafner Physical review B 68 (8), 085416, 2003	53	2003
Contribution of the Acetate Anion to CO₂ Solubility in Ionic Liquids: Theoretical Method Development and Experimental Study W Shi, RL Thompson, E Albenze, JA Steckel, HB Nulwala, DR Luebke The Journal of Physical Chemistry B 118 (26), 7383-7394, 2014	48	2014
Understanding the mechanism of CO 2 capture by 1, 3 di-substituted imidazolium acetate based ionic liquids JX Mao, JA Steckel, F Yan, N Dhumal, H Kim, K Damodaran Physical Chemistry Chemical Physics 18 (3), 1911-1917, 2016	47	2016
Structural characterization of the hydrogen-covered C (100) surface by density functional theory calculations JA Steckel, G Kresse, J Hafner Physical Review B 66 (15), 155406, 2002	42	2002
Levelized cost of CO2 captured using five physical solvents in pre-combustion applications HE Ashkanani, R Wang, W Shi, NS Siefert, RL Thompson, K Smith, ... International Journal of Greenhouse Gas Control 101, 103135, 2020	34	2020
Electron-stimulated bond rearrangements on the H/Si (100)-3× 1 surface TC Shen, JA Steckel, KD Jordan Surface science 446 (3), 211-218, 2000	31	2000
Ab initio modelling of neutral and cationic Hg–benzene complexes JA Steckel Chemical physics letters 409 (4-6), 322-330, 2005	28	2005
Density Functional Theory JA Steckel, D Sholl Density Functional Theory, A John Wiley & Sons, Inc., Publication, Wiley, 1-33, 2009	24	2009
Molecular design and fabrication of PIM-1/polyphosphazene blend membranes with high performance for CO2/N2 separation AK Sekizkardes, S Budhathoki, L Zhu, V Kusuma, Z Tong, JS McNally, ... Journal of Membrane Science 640, 119764, 2021	23	2021
Oxygen atom reactions with circumtrindene and related molecules: Analogues for the oxidation of nanotube caps JA Steckel, KD Jordan, P Avouris The Journal of Physical Chemistry A 106 (11), 2572-2579, 2002	19	2002
Designing optimal core–shell MOFs for direct air capture P Boone, Y He, AR Lieber, JA Steckel, NL Rosi, KM Hornbostel, ... Nanoscale 14 (43), 16085-16096, 2022	14	2022
Effect of power plant capacity on the CAPEX, OPEX, and LCOC of the CO2 capture process in pre-combustion applications HE Ashkanani, R Wang, W Shi, NS Siefert, RL Thompson, K Smith, ... International Journal of Greenhouse Gas Control 109, 103371, 2021	14	2021
Custom formulation of multicomponent mixed-matrix membranes for efficient post-combustion carbon capture SK Elsaidi, S Venna, AK Sekizkardes, JA Steckel, MH Mohamed, J Baker, ... Cell Reports Physical Science 1 (7), 2020	13	2020
Molecular Simulations of the Thermophysical Properties of Polyethylene Glycol Siloxane (PEGS) Solvent for Precombustion CO₂ Capture W Shi, NS Siefert, HO Baled, JA Steckel, DP Hopkinson The Journal of Physical Chemistry C 120 (36), 20158-20169, 2016	13	2016

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