2018 Publications

Nicolas Alvarez

Akuzum, B.; Maleski, K.; Anasori, B.; Lelyukh, P.; Alvarez, N.J.; Kumbur, E.C. et. al. Rheological characteristics of 2D titanium carbide (MXene) dispersions: a guide for processing MXenes. ACS nano 2018, 12 (3), 2685-2694.

Boso, A.; Lenzi, S.M.; Recchia, F.; Bonnard, J.; Zuker, A.P; Aydin, S.; Bentley, M.A.; et. al. Neutron Skin Effects in Mirror Energy Differences: The Case of 23Mg−23Na. Phys. Rev. Lett. 2018, 121 (3), 032502.

DiGuiseppi, D.; Schweitzer-Stenner, R.; Alvarez, N.J. Exploring the Tunability of the Aggregation and Gelation Process of Tripeptides. Biophys. J. 2018, 114 (3), 589a.

Henry, C.K.; Palmese, G.R.; Alvarez, N.J. The evolution of crystalline structures during gel spinning of ultra-high molecular weight polyethylene fibers. Soft matter 2018, 14 (44), 8974-8985.

Morelly, S.L.; Alvarez, N.J.; Tang, M.H. Short-range electronic contacts govern the performance of industry-relevant cathodes. J. Power Sources 2018, 387, 49-56.

Morelly, S.L.; Gelb, J.; Iacoviello, F.; Shearing, P.R.; Harris, S.J.; Alvarez, N.J.; et. al. Three-Dimensional Visualization of Conductive Domains in Battery Electrodes with Contrast-Enhancing Nanoparticles. ACS Appl. Energy Mater. 2018, 1 (9), 4479-4484.

O’Connor, T.C.; Alvarez, N.J.; Robbins, M.O. Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts. Phys. Rev. Lett. 2018, 121 (4), 047801.

Wagner, M.H.; Wingstrandt, S.L.; Alvarez, N.J.; Narimissa, E. The peculiar elongational viscosity of concentrated solutions of monodisperse PMMA in oligomeric MMA. Rheol. Acta 2018, 57 (8-9), 591-601.

Weaver, J.A.; Morelly, S.L.; Alvarez, N.J.; Magenau, A.J.D. Grafting-through ROMP for gels with tailorable moduli and crosslink densities. Polym. Chem. 2018, 9 (42), 5173-5178.


Cameron Abrams

Gardner, J.; Abrams, C.F. Lipid flip-flop vs. lateral diffusion in the relaxation of hemifusiondiaphragms. BBA-Biomembranes 2018, 1860:1452-1459.

Gossert, S.; Parajuli, B.; Chaiken, I.; Abrams, C.F. Roles of Conserved Tryptophans in Trimerization of HIV-1 Membrane-Proximal External Regions: Implications for Virucidal Design via Alchemical Free-Energy Molecular Simulations. Proteins 2018, 86:707-711.

Parajuli, B.; Acharya, K.; Bach, H.C.; Parajuli, B.; Zhang, S.; Smith III, A.B.; Abrams, C.F.; Chaiken, I. Restricted HIV-1 Env Glycan Engagement by Lectin-Reengineered DAVEI Protein Chimera is sufficient for Lytic Inactivation of the Virus. Biochem. J. 2018, 475:931-957 (10.1042/BCJ20170662).

Paz, S.A.; Abrams, C.F. Testing Convergence of Different Free-Energy Methods in a Simple Analytical System with Hidden Barriers. Computation 2018, 6:27 (10.3390/computation6020027).

Paz, S.A.; Maragliano, L.; Abrams, C.F. The effect of intercalated water on potassium ion transport through Kv1.2 channels studied via on-the-fly free-energy parameterization. J. Chem. Theory. Comput. 2018, 14:2743-2750.

Moraca, F.; Rinaldo, D.; Smith, III, A.B.; Abrams, C.F. Specific Non-Covalent Interactions Determine Optimal Structure of a Buried Ligand Moiety: QM/MM and Pure QM Modeling of Complexes of the Small-Molecule CD4 Mimetics and HIV-1 Gp120. ChemMedChem 2018, 13:627-633 (10.1002/cmdc.201700728).

Sridhar, A.; Vergara, J.; Kinaci, E.; Palmese, G.R.; Abrams, C.F. The effect of alkyl chain length on mechanical properties of fatty-acid-functionalized amidoamine-epoxy system. Comput. Mater. Sci. 2018, 150:70-76 (10.1016/j.commatsci.2018.03.073).


Jason Baxter

Edley, M. E.; Opasanont, B.; Conley, J. T.; Tran, H.; Smolin, S. Y.; Li, S.; Dillon, A. D.; Fafarman, A. T.; Baxter, J. B. Solution Processed CuSbS2 Films for Solar Cell Applications. Thin Solid Films 2018, 646, 180–189.

Smolin, S.Y.; Choquette, A.K.; Wang, J.; May, S.J.; Baxter, J.B. Distinguishing Thermal and Electronic Effects in Ultrafast Optical Spectroscopy Using Oxide Heterostructures. J. Phys. Chem. C 2018, 122, 115.


Aaron Fafarman

Cimorelli, M.; Brett, A.; Fafarman, A.; Kohut, A.; Andrien, B.; Barrett, K.; Wrenn, S. Introducing a nested phase change agent with an acoustic response that depends on electric field: A candidate for myocardial perfusion imaging and drug delivery. Applied Acoustics 2018, 138. 10.1016/j.apacoust.2018.03.028.

Dillon, A.D. ; Mengel, S.; Fafarman, A.T. Influence of Compact, Inorganic Surface Ligands on the Electrophoretic Deposition of Semiconductor Nanocrystals at Low Voltage. Langmuir 2018, 34 (33), pp 9598–9605.

Edley, M. E.; Opasanont, B.; Conley, J. T.; Tran, H.; Smolin, S. Y.; Li, S.; Dillon, A. D.; Fafarman, A. T.; Baxter, J. B. Solution Processed CuSbS2 Films for Solar Cell Applications. Thin Solid Films 2018, 646, 180–189.


Vibha Kalra

Dillard, C.; Singh, A.; Kalra, V. Polysulfide Speciation and Electrolyte Interactions in Lithium–Sulfur Batteries with in Situ Infrared Spectroelectrochemistry. Journal of Physical Chemistry C 2018, 122, 18195.

Dillard, C.; Chung, S-H.; Singh, A.; Manthiram, A.; Kalra, V. Binder-free, freestanding cathodes fabricated with an ultra-rapid diffusion of sulfur into carbon nanofiber mat for lithium sulfur batteries. Materials Today Energy 2018, 9, 336.

Li,X.; Rafie, A.; Yuriy, S.; Simotwo, S.; Kalra, V.; Lau, KKS. Engineering conformal nanoporous polyaniline via oxidative chemical vapor deposition and its potential application in supercapacitors. Chemical Engineering Science 2018, doi.org/10.1016/j.ces.2018.06.053

Pai, R.N.; Kalra, V. High Performance Aqueous Asymmetric Supercapacitor based on Iron Oxide Anode and Cobalt Oxide Cathode. Journal of Materials Research 2018, 33, 1199 (Invited Special Issue Article).

Pai, R.N.; Singh, A.; Simotwo, S.; Kalra. V., In-Situ Grown Iron Oxides on Carbon Nanofibers as Freestanding Anodes in Aqueous Supercapacitors. Advanced Engineering Materials, 2018, 1701116

Simotwo, S.; Kalra, V. Polyaniline-Carbon based Binder-free Asymmetric Supercapacitor in Neutral Aqueous Electrolyte. Electrochimica Acta 2018, 268, 131

Singh, A.; Kalra, V. TiO Phase Stabilized into Freestanding Nanofibers as Strong Polysulfide Immobilizer in Li–S Batteries: Evidence for Lewis Acid–Base Interactions. ACS Applied Materials and Interfaces 2018, 10, 37937.


Kenneth Lau

Smolin, Y.; Lau, K.K.S.; Soroush, M. First-Principles Modeling for Optimal Design, Operation, and Integration of Energy Conversion and Storage Systems. AIChE J. 2018, accepted.


Giuseppe Palmese

Henry, C.K.; Palmese, G.R.; Alvarez, N.J. The evolution of crystalline structures during gel spinning of ultra-high molecular weight polyethylene fibers. Soft matter 2018, 14 (44), 8974-8985.

Sridhar, A.; Vergara, J.; Kinaci, E.; Palmese, G.R.; Abrams, C.F. The effect of alkyl chain length on mechanical properties of fatty-acid-functionalized amidoamine-epoxy system. Comput. Mater. Sci. 2018, 150:70-76 (10.1016/j.commatsci.2018.03.073).

Throckmorton, J.A.; Feldman, G., Palmese, G.R.; Guenthner, A.J.; Lamison, K.R.; et. al. Hydrolytic degradation kinetics of bisphenol E cyanate ester resin and composite. Polym. Degrad. Stab. 2018, 151, 1-11.

Yadav, S.K.; Hu, F.; La Scala, J.J.; Palmese, G.R. Toughening Anhydride-Cured Epoxy Resins Using Fatty Alkyl-Anhydride-Grafted Epoxidized Soybean Oil. ACS Omega 2018, 3 (3), 2641-2651.

Yadav, S.K.; Schmalbach, K.M.; Kinaci, E.; Stanzione III, J.F.; GR Palmese, G.R. Recent advances in plant-based vinyl ester resins and reactive diluents. European Polymer Journal 2018, 98, 199-215.


Masoud Soroush

Arabi Shamsabadi, A.; Seidi, F.; Nozari, M.; Soroush, M. A New Pentiptycene-Based Dianhydride and its High-Free-Volume Polymer for CO2 Removal. ChemSusChem 2018, 11(2), 472–482 (2018), DOI: 10.1002/cssc.201701491.

Arabi Shamsabadi, A.; Sharifian Gh., M.; Anasori, B.; Soroush, M. Antimicrobial Mode-of-Action of Colloidal Ti3C2Tx MXene Nanosheets. ACS Sustainable Chem. Eng. 2018, accepted.

Dadashi Firouzjaei, M.; Arabi Shamsabadi, A.; Aghapour Aktij, A; Seyedpour, S. F.; Sharifian Gh., M.; Rahimpour, A.; Rabbani Esfahani, M.; Ulbricht, M.; Soroush, M. Exploiting Synergetic Effects of Graphene Oxide and a Silver-based Metal-Organic Framework to Enhance Antifouling and Anti-biofouling Properties of Thin Film Nanocomposite Membranes. ACS Applied Materials & Interfaces 2018, accepted, 10.1021/acsami.8b12714.

Dadashi Firouzjaei, M.; Arabi Shamsabadi, A.; Sharifian Gh., M.; Rahimpour, A.; Soroush, M. A Novel Nanocomposite with Superior Antibacterial Activity: a Silver-based Metal Organic Framework Embellished with Graphene Oxide. Adv Mater Interfaces 2018, in press.

Laki, S.; Arabi Shamsabadi, A.; Seidi, F.; Soroush, M. Sustainable Recovery of Silver from Deactivated Catalysts Using a Novel Process Combining Leaching and Emulsion Liquid Membrane Techniques. em>Ind. & Eng. Chemistry Research 2018, accepted.

Rahimpour, A.; Seyedpour, S. F.; Aghapour Aktij, S.; Dadashi Firouzjaei, M.; Zirehpour, A.; Arabi Shamsabadi, A.; Khoshhal Salestan, S.; Jabbari, M.; Soroush, S. Simultaneous Improvement of Antimicrobial, Antifouling, and Transport Properties of Forward Osmosis Membranes with Immobilized Highly-Compatible Polyrhodanine Nanoparticles. Environmental Science & Technology 2018, accepted.

Riazi, H.; Arabi Shamsabadi, A.; Corcoran, P.; Grady, M.C.; Rappe, A.M.; Soroush, M. On the Thermal Self-Initiation Reaction of n-Butyl Acrylate in Free-Radical Polymerization. Processes 2018, 6(1), 3; doi:10.3390/pr6010003.

Riazi, H.; Shamsabadi, A.A.; Grady, M.C.; Rappe, A.M.; Soroush, S. Experimental and Theoretical Study of the Self-Initiation Reaction of Methyl Acrylate in Free-Radical Polymerization. Ind. & Eng. Chemistry Research 2018, 57 (2), 532–539, DOI: 10.1021/acs.iecr.7b04648.

Saberi, S.; Arabi Shamsabadi, A.; Shahrooz, M.; Sadeghi, M.; Soroush, M. Improving Transport and Antifouling Properties of Poly(Vinyl Chloride) Hollow Fiber Ultrafiltration Membranes by Incorporating Silica Nanoparticles. ACS Omega 2018, accepted.

Sadeghi, M.; Arabi Shamsabadi, A.; Ronasi, A.; Pournaghshband Isfahani, A.; Dinari, M.; Soroush, M. Engineering the Dispersion of Nanoparticles in Polyurethane Membranes to Control Membrane Physical and Transport Properties. Chemical Engineering Science 2018, in press.

Sadeghi, M.; Talakesh, M.M.;. Arabi Shamsabadi, A.; Soroush, M. Novel Application of a Polyurethane Membrane for Efficient Separation of Hydrogen Sulfide from Binary and Ternary Gas Mixtures. ChemistrySelect 2018, in press.

Seyedpour, S.F., Rahimpour, A.; A. Shamsabadi, A.; Soroush, M. Improved Performance and Antifouling Properties of Thin-Film Composite Polyamide Membranes Modified with Nano-sized Bactericidal Graphene Quantum Dots for Forward Osmosis. Chem. Eng. Research and Design 2018, DOI: 10.1016/j.cherd.2018.09.041.

Smolin, Y.; Lau, K.K.S.; Soroush, M. First-Principles Modeling for Optimal Design, Operation, and Integration of Energy Conversion and Storage Systems. AIChE J. 2018, accepted.

Tavasoli, E.; Sadeghi, M.; Riazi, H.; Shamsabadi, A.; Soroush, M. Effects of Hexamethylenetetramine Dicyanamide Cadmium Nanoparticles on Gas Separation Properties of Polysulfone Membranes. Fibers and Polymers 2018, in press.


Maureen Tang

Ardo, S.; Fernandez Rivas, D.; Modestino, M.A.; Schulze Greiving, V.; Abdi, F.F.; et. al. Pathways to electrochemical solar-hydrogen technologies. Energy Environ. Sci. 2018, 1754-5692. DOI: 10.1039/C7EE03639F.

Harris, O.C.; Tang, M.H. Molecular Probes Reveal Chemical Selectivity of the Solid–Electrolyte Interphase. J. Phys. Chem 2018, 122 (36), 20632-20641.

Lees, C.M.; Lansing, J.L.; Morelly, S.L.; Lee, S.E.; Tang, M.H. Ni- and Sb-Doped SnO2 Electrocatalysts with High Current Efficiency for Ozone Production via Electrodeposited Nanostructures. J. Electrochem. Soc. 2018, 165 (16), E833-E840.

Morelly, S.L.; Alvarez, N.J.; Tang, M.H. Short-range electronic contacts govern the performance of industry-relevant cathodes. J. Power Sources 2018, 387, 49-56.

Morelly, S.L.; Gelb, J.; Iacoviello, F.; Shearing, P.R.; Harris, S.J.; Alvarez, N.J.; Tang, M.H. Three-Dimensional Visualization of Conductive Domains in Battery Electrodes with Contrast-Enhancing Nanoparticles. ACS Appl. Energy Mater. 2018, in press. DOI: 10.1021/acsaem.8b01184.

Rebollar, L.; Intikhab, S.; Snyder, J.; Tang, M.H. Determining the viability of hydroxide-mediated bifunctional HER/HOR mechanisms through single-crystal voltammetry and microkinetic modeling. J. Electrochem. Soc. 2018, 165 (15): J3209-J3221.


Steven Wrenn

Cimorelli, M.; Brett, A.; Fafarman, A.; Kohut, A.; Andrien, B.; Barrett, K.; Wrenn, S. Introducing a nested phase change agent with an acoustic response that depends on electric field: A candidate for myocardial perfusion imaging and drug delivery. Applied Acoustics 2018, 138. 10.1016/j.apacoust.2018.03.028.