Dr.   Hendrik     Heinz

Dr. Hendrik Heinz

Associate Professor
Department of Polymer Engineering
Phone: 330-972-7467
Email: hendrik.heinz@uakron.edu

Publications - See also

Publications in Peer-Reviewed Journals and Book Chapters (* Invited)) [as of July 7, 2014]
(H index 22, >1700 citations)

56. "A Rational Biomimetic Approach to Structure Defect Generation in Colloidal Nanocrystals"
Ruan, L.; Ramezani-Dakhel, H.; Lee, C.; Li, Y.; Duan, X.; Heinz, H.; Huang, Y.
ACS Nano 2014, ASAP.
DOI: 10.1021/nn501704k

55.* "The Role of Chemistry and pH of Solid Surfaces for Specific Adsorption of Biomolecules in Solution—Accurate Computational Models and Experiment"
Heinz, H.
J. Phys. Cond. Mat. 2014, 26, 244105.
DOI:10.1088/0953-8984/26/24/244105

54.* "A Force Field for Tricalcium Aluminate to Characterize Surface Properties, Initial Hydration, and Organically Modified Interfaces in Atomic Resolution"
Mishra, R. K.; Fernandez-Carrasco, L.; Flatt, R. J.; Heinz, H.
Dalton Trans. 2014, 43, 10602-10616.
DOI: 10.1039/C4DT00438H

53. "Interaction of Substituted Poly(phenyleneethynylene)s with Ligand-Stabilized CdS Nanoparticles"
Liu, H.; Espe, M. P.; Modarelli, D. A.; Arias, E.; Moggio, I.; Ziolo, R. F.; Heinz, H.
J. Mater. Chem. A 2014, 2, 8705-8711.
DOI: 10.1039/C4TA01280A

52.* "Understanding Molecular Recognition on Metallic and Oxidic Nanostructures from a Perspective of Computer Simulation and Theory"
Heinz, H.
In "Bio-Inspired Nanotechnology"; Knecht, M. R., Walsh, T. R., Eds.; Springer, New York, 2014, p. 141-171.
DOI: 10.1007/978-1-4614-9446-1_6


51. "Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution"
Emami, F. S.; Puddu, V.; Berry, R. J.; Varshney, V.; Patwardhan, S. V.; Perry, C. C.; Heinz, H.
Chem. Mater. 2014, 26, 2647-2658.
DOI: 10.1021/cm500365c


50. "Facet Recognition and Molecular Ordering of Ionic Liquids on Metal Surfaces"
Jha, K. C.; Liu, H.; Bockstaller, M. R.; Heinz, H.
J. Phys. Chem. C 2013, 117, 25969-25981.
DOI: 10.1021/jp4032404


49. "Exploiting Localized Surface Binding Effects to Enhance the Catalytic Reactivity of Peptide-Capped Nanoparticles"
Coppage, R.; Slocik, J. M.; Ramezani-Dakhel, H.; Bedford, N. M.; Heinz, H.; Naik, R. R.; Knecht, M. R.
J. Am. Chem. Soc. 2013, 135, 11048-11054.
DOI: 10.1021/ja402215t


48. "Force Field for Tricalcium Silicate and Insight into Nanoscale Properties: Cleavage, Initial Hydration, and Adsorption of Organic Molecules"
Mishra, R. K.; Flatt. R. J.; Heinz, H.
J. Phys. Chem. C 2013, 117, 10417-10432. Journal Cover (May 23).
DOI: 10.1021/jp312815g


47. "Stability, surface features, and atom leaching of palladium nanoparticles: toward prediction of catalytic functionality"
Ramezani-Dakhel, H.; Mirau, P. A.; Naik, R. R.; Knecht, M. R.; Heinz, H.
Phys. Chem. Chem. Phys. 2013, 15, 5488-5492.
DOI: 10.1039/C3CP00135K


46. "Tailoring molecular specificity toward a crystals facet: a lesson from biorecognition toward Pt{111}"
Ruan, L. Y.; Ramezani-Dakhel, H.; Chiu, C. Y.; Zhu, E. B.; Li, Y. J.; Heinz, H.; Huang, Y.
Nano Lett. 2013, 13, 840-846.
DOI: 10.1021/nl400022g


45.* "Thermodynamically Consistent Force Fields and Molecular Models for the Assembly of Inorganic, Organic, and Biological Hybrid Nanostructures: The INTERFACE Force Field"
Heinz, H.; Lin, T. Z.; Mishra, R. K.; Emami, F. S.
Langmuir 2013, 29, 1754-1765. Invited Feature Article and Cover (Feb 12).
DOI: 10.1021/la3038846


44. "Understanding the Effectiveness of Polycarboxylates as Grinding Aids"
Mishra, R. K.; Heinz, H.; Müller, T.; Zimmermann, J.; Flatt, R.
American Concrete Institute Symposium Series, Vol. 288, Malhotra, V., ed., 2012. Article
No 288.16, p. 235-251. ISBN 9781622766406. PDF

43.* "Clay Minerals for Nanocomposites and Biotechnology: Surface Modification, Dynamics, and Responses to Stimuli"
Heinz, H.
Clay Miner. 2012, 47, 205-230. Invited script of George Brown Lecture.
DOI: 10.1180/claymin.2012.047.2.05


42. "Chemistry of Aqueous Silica Nanoparticle Surfaces and the Mechanism of Selective Peptide Adsorption"
Patwardhan, S. V.; Emami, F. S.; Berry, R. J.; Jones, S. E.; Naik, R. R.; Deschaume, O.; Heinz, H.; Perry, C. C.
J. Am. Chem. Soc. 2012, 134, 6244-6256.
DOI: 10.1021/ja211307u


41. "Influence of the Shape of Nanostructured Metal Surfaces on Adsorption of Single Peptides in Aqueous Solution"
Feng, J.; Slocik, J. M.; Sarikaya, M.; Naik, R. R.; Farmer, B. L.; Heinz, H.
Small 2012, 8, 1049-1059.
DOI: 10.1002/smll.201102066


40.* "Alkylammonium Chains on Layered Silicate Surfaces"
Heinz, H.
In "Rubber-Clay Nanocomposites: Science, Technology and Applications"; Galimberti, M., ed.; Wiley and Sons: Hoboken, NJ, 2011. ISBN 978-0-470-56210-9.

39. "Control over Self-Assembly of Diblock Copolymers on Hexagonal and Square Templates for High Area Density Circuit Boards"
Feng, J.; Cavicchi, K. A.; Heinz, H.
ACS Nano 2011, 5, 9413-9420.
DOI: 10.1021/nn2035439


38. "Bending of Layered Silicates on the Nanometer Scale: Mechanism, Stored Energy, and Curvature Limits"
Fu, Y. T.; Zartman, G. D.; Yoonessi, M.; Drummy, L. F.; Heinz, H.
J. Phys. Chem. C 2011, 115, 22292-22300.
DOI: 10.1021/jp208383f


37. "Morphology of Sulfonated Polyarylenethioethersulfone Random Copolymer Series as Proton Exchange Fuel Cells Membranes by Small Angle Neutron Scattering"
Yoonessi, M.; Heinz, H.; Bai, Z. W.; Dang, T. D.
Polymer 2011, 5615-5621.
DOI: 10.1016/j.polymer.2011.09.047


36. "Crystallographic Recognition Controls Peptide Binding for Bio-Based Nanomaterials"
Coppage, R.; Slocik, J. M.; Briggs, B. D.; Frenkel, A. I.; Heinz, H.; Naik, R. R.; Knecht, M. R.
J. Am. Chem. Soc. 2011, 133, 12346-12349.
DOI: 10.1021/ja203726n


35. "Adsorption Mechanism of Single Amino Acid and Surfactant Molecules to Au {111} Surfaces in Aqueous Solution: Design Rules for Metal-Binding Molecules"
Feng, J.; Pandey, R. B.; Berry, R. J.; Farmer, B. L.; Naik, R. R.; Heinz, H.
Soft Matter 2011, 7, 2113-2120. Featured as Hot Article.
DOI: 10.1039/C0SM01118E


34. "Polarization at Metal-Biomolecular Interfaces in Solution"
Heinz, H.; Jha, K. C.; Luettmer-Strathmann, J.; Farmer, B. L.; Naik, R. R.
J. R. Soc. Interface 2011, 8, 220-232.
DOI: 10.1098/rsif.2010.0318


33.* "Modification of Inorganic Fillers and Interfacial Properties in Polyolefin Nanocomposites: Theory versus Experiment"
Feng, J.; Heinz, H.
In "Advances in Polyolefin Nanocomposites"; Mittal, V., ed.; CRC Press: Boca Raton, 2010. ISBN 978-1-439814543.

32.* "Molecular Simulation and Thermodynamics of Polymer Blends and Melts"
Virnau, P.; Binder, K.; Heinz, H.; Kreer, T.; Müller, M.
In "Encyclopedia of Polymer Blends"; Isayev, A. I., ed.; Volume 1 "Fundamentals"; Wiley-VCH: Weinheim, 2010. ISBN: 978-3-527-31928-2.

31.* "Understanding Clay Surface Modification and Organic-Inorganic Interfaces"
Heinz, H.
In "Advances in Polymer Nanocomposite Technology"; Mittal, V., ed.; Nova Science: Hauppauge, NY, 2010. ISBN 978-1-60741-970-9.

30.* "Simulation of Polymer Matrix Nanocomposites"
Patnaik, S. S; Heinz, H.; Pandey, R. B.; Farmer, B. L.
In "Modeling and Simulation in Polymers"; Gujrati, P. D, Leonov, A. I., eds.; Wiley-VCH: Weinheim, 2010. ISBN: 978-3-527-32415-6.

29. "Layer of Clay Platelets in a Peptide Matrix: Binding, Encapsulation and Morphology"
Pandey, R. B.; Heinz, H.; Farmer, B. L.; Drummy, L. F.; Jones, S. E.; Vaia, R. A.; Naik, R. R.
J. Polym. Sci. B 2010, 48, 2566-2574.
DOI: 10.1002/polb.22140


28. "Bio-functionalization and Immobilization of a Membrane via Peptide Binding (CR31, S2) by a Monte Carlo Simulation"
Pandey, R. B.; Heinz, H.; Feng, J.; Farmer, B. L.
J. Chem. Phys. 2010, 133, 095102.
DOI: 10.1063/1.3484241


27. "Nanostructure and Properties of Sulfonated Polyarylenethioethersulfone Copolymer by Small Angle Neutron Scattering"
Yoonessi, M.; Heinz, H.; Dang, T. D.; Wheeler, R.; Bai, Z. W.
Polymer 2010, 51, 1585-1592.
DOI: 10.1016/j.polymer.2010.02.011


26. "UV-Absorption and Silica/Titania Colloids Using a Core–Shell Approach"
Zhou, L.; Heinz, H.; Soucek, M. D.; Aleman, E. A.; Modarelli, D. A.
Silicon 2010, 2, 95-104.
DOI: 10.1007/s12633-009-9030-2


25. "Cleavage Energy of Alkylammonium-Modified Montmorillonite and the Relation to Exfoliation in Nanocomposites: Influence of Cation Density, Head Group Structure, and Chain Length"
Fu, Y. T.; Heinz, H.
Chem. Mater. 2010, 22, 1595-1605.
DOI: 10.1021/cm902784r


24.* "Structure and Cleavage Energy of Surfactant-Modified Clay Minerals: Influence of CEC, Head Group, and Chain Length"
Fu, Y. T.; Heinz, H.
Philosophical Magazine 2010, 90, 2415-2424. Invited Paper.
DOI:10.1080/14786430903559490


23. "Nanoscale Tensile, Shear, and Failure Properties of Layered Silicates as a Function of Cation Density and Stress"
Zartman, G. D.; Liu, H.; Akdim, B.; Pachter, R.; Heinz, H.
J. Phys. Chem. C 2010, 114, 1763-1772.
DOI: 10.1021/jp907012w


22. "Computational Screening of Biomolecular Adsorption and Self-Assembly on Nanoscale Surfaces"
Heinz, H.
J. Comput. Chem. 2010, 31, 1564-1568.
DOI: 10.1002/jcc.21421


21.* "Synthesis, Structure, Characterization, and Properties of Organically Modified Layered Silicates"
Heinz, H.
In "Industry Guide to Polymer Nanocomposites "; Beyer, G., ed.; AMI: Bristol, 2009. ISBN 978-1-906479046.

20. "Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd-Au Bimetal Surfaces in Aqueous Solution"
Heinz, H.; Farmer, B. L.; Pandey, R. B.; Slocik, J. M.; Patnaik, S. S.; Pachter, R.; Naik, R. R.
J. Am. Chem. Soc. 2009, 131, 9704-9714.
DOI: 10.1021/ja900531f


19.* "Molecular Models and Simulations of Layered Materials"
Cygan, R. T.; Greathouse, J. A.; Heinz, H.; Kalinichev, A. G.
J. Mater. Chem. 2009, 19, 2470-2481. Invited article and journal cover (May 7).
DOI: 10.1039/B819076C


18. "Adsorption of peptides (A3, Flg, Pd2, Pd4) on gold and palladium surfaces by a coarse-grained Monte Carlo simulation"
Pandey, R. B.; Heinz, H.; Feng, J.; Farmer, B. L; Slocik, J. M.; Drummy, L. R.; Naik, R. R.
Phys. Chem. Chem. Phys. 2009, 11, 1989-2001. Invited Paper.
DOI: 10.1039/B816187A


17. "Towards Understanding Amino Acid Adsorption at Metallic Interfaces: A Density Functional Theory Study"
Hong, G.; Heinz, H.; Naik, R. R.; Farmer, B. L.; Pachter, R.
ACS Appl. Mat. Interf. 2009, 1, 388-392.
DOI: 10.1021/am800099z


16. "Accurate Simulation of Surfaces and Interfaces of FCC Metals Using 12-6 and 9-6 Lennard-Jones Potentials"
Heinz, H.; Vaia, R. A.; Farmer, B. L.; Naik, R. R.
J. Phys. Chem. C 2008, 112, 17281¬¬-17290.
DOI: 10.1021/jp801931d


15. "Photoisomerization of Azobenzene Grafted to Montmorillonite: Simulation and Experimental Challenges"
Heinz, H.; Vaia, R. A.; Koerner, H.; Farmer, B. L.
Chem. Mater. 2008, 20, 6444-6456.
DOI: 10.1021/cm801287d


14. "Relation between Packing Density and Thermal Transitions of Alkyl Chains on Layered Silicate and Metal Surfaces"
Heinz, H.; Vaia, R. A.; Farmer, B. L.
Langmuir 2008, 24, 3727-3733.
DOI: 10.1021/la703019e

13.* "Calculation of Local and Average Pressure Tensors in Molecular Simulation"
Heinz, H.
Molecular Simulation 2007, 33, 747-758. Invited paper.
DOI:10.1080/08927020701308828


12. "Self-Assembly of Alkylammonium Chains on Montmorillonite: Effect of Chain Length, Headgroup Structure, and Cation Exchange Capacity"
Heinz, H.; Vaia, R. A.; Krishnamoorti, R.; Farmer, B. L.
Chem. Mater. 2007, 19, 59-68.
DOI: 10.1021/cm062019s


11. "Dynamics of Alkyl Ammonium Intercalants within Organically Modified Montmorillonite: Dielectric Relaxation and Ionic Conductivity"
Jacobs, J. D.; Koerner, H.; Heinz, H.; Farmer, B. L.; Mirau, P. A.; Garrett, P. H.; Vaia, R. A.
J. Phys. Chem. B 2006, 110, 20143-20157.
DOI: 10.1021/jp061931l


10. "Interaction Energy and Surface Reconstruction between Sheets of Layered Silicates"
Heinz, H.; Vaia, R. A.; Farmer, B. L.
J. Chem. Phys. 2006, 124, 224713.
DOI: 10.1063/1.2202330


9. "Calculation of Local Pressure Tensors in Systems with Many-Body Interactions"
Heinz, H.; Paul, W.; Binder, K.
Phys. Rev. E 2005, 72, 066704.
DOI: 10.1103/PhysRevE.72.066704


8. "Force Field for Phyllosilicates and Dynamics of Octadecylammonium Chains Grafted to Montmorillonite"
Heinz, H.; Koerner, H.; Vaia, R. A.; Anderson, K. L.; Farmer, B. L.
Chem. Mater. 2005, 17, 5658-5669.
DOI: 10.1021/cm0509328


7. "Conformation and Dynamics of a Self-Avoiding Sheet: Bond-Fluctuation Computer Simulation"
Pandey, R. B.; Anderson, K. L.; Heinz, H.; Farmer, B. L.
J. Polym. Sci. B 2005, 43, 1041-1046.
DOI: 10.1002/polb.20394


6. "Analysis of the Phase Transitions in Alkyl-Mica by Density and Pressure Profiles"
Heinz, H.; Paul, W.; Suter, U. W.; Binder, K.
J. Chem. Phys. 2004, 120, 3847-3854.
DOI: 10.1063/1.1642605


5. "Surface Structure of Organoclays"
Heinz, H.; Suter, U. W.
Angew. Chem. Int. Ed. 2004, 43, 2239-2243.
DOI: 10.1002/anie.200352747


4. "Atomic Charges for Classical Simulations of Polar Systems"
Heinz, H.; Suter, U. W.
J. Phys. Chem. B 2004, 108, 18341-18352.
DOI: 10.1021/jp048142t


3. "Structure and Phase Transitions of Alkyl Chains on Mica"
Heinz, H.; Castelijns, H. J.; Suter, U. W.
J. Am. Chem. Soc. 2003, 125, 9500-9510.
DOI: 10.1021/ja021248m


2. "Simple and Accurate Computations of Solvatochromic Shifts in pi ->pi* Transitions of Aromatic Chromophores"
Heinz, H.; Suter, U. W.; Leontidis, E.
J. Am. Chem. Soc. 2001, 123, 11229-11236.
DOI: 10.1021/ja010396u


1. "Normal and defective perylene substitution sites in alkane crystals"
Leontidis, E.; Heinz, H.; Palewska, K.; Wallenborn, E.-U.; Suter, U. W.
J. Chem. Phys. 2001, 114, 3224-3235.
DOI: 10.1063/1.1342238


Patents

1.Heinz, H. "Methods and Systems for Accurate Simulation of Surfaces and Interfaces of FCC Metals" PCT Int. Appl. (2009), WO 2009036182 A2 20090319.

Conference Proceedings

9.Mishra, R. K.; Heinz, H.; Müller, T.; Zimmermann, J.; Flatt, R.
"Understanding the Effectiveness of Polycarboxylates as Grinding Aids"
Proc. of 10th Int. Conference on Superplasticizers and Other Chemical Admixtures in Concrete 2012, ACI Publishing, SP-288.16.
8.Mishra, R. K.; Flatt, R. J.; Heinz, H.
"Molecular Understanding of Directional Surface and Interface Tensions of Gypsum and Plaster"
Proc. 13th Int. Congr. On Chem. Cement 2011 (Madrid, Spain)
7.Mishra, R. K.; Flatt, R. J.; Heinz, H.
"Cleavage Energy of Tricalcium Silicate and Interactions with Amine Additives"
Proc. 13th Int. Congr. On Chem. Cement 2011 (Madrid, Spain)
6.Heinz, H.; Drummy, L. R.; Vaia, R. A.; Naik, R. R.; Farmer, B. L.
"Peptide Binding to Sheet Silicate and Metal Nanoparticles: Insight from Atomistic Simulation"
Proc. ACS Div. Polym. Mater. Sci. Eng. 2008, 98, 292-295.
5.Heinz, H.; Drummy, L. R.; Vaia, R. A.; Naik, R. R.; Farmer, B. L.
"Modeling Peptides for Binding to Inorganic Surfaces and Thermal Transitions of Alkyl Chains on Flat Surfaces"
ACS Symp. Ser. 2008.
4.Heinz, H.; Jha, K. C.; Farmer, B. L.; Naik, R. R.
"Peptide Binding to Sheet Silicate and Metal Nanonoparticles - Insight from Atomistic Simulation"
Proc. SAMPE Fall Technical Conference 2007.
3.Heinz, H.; Vaia, R. A.; Farmer, B. L.
"Free Energy of Exfoliation Between Layered Silicate Sheets"
Proc. ACS Div. Polym. Mater. Sci. Eng. 2005, 93, 921-922.
2.Heinz, H.; Anderson, K. L.; Koerner, H.; Vaia, R. A.; Farmer, B. L.
"Towards Quantitative Modeling of Surface Properties in Inorganic-Organic Hybrid Materials"
Proc. ACS Div. Polym. Mater. Sci. Eng. 2005, 93, 917-918.
1.Heinz, H.; Vaia, R. A.; Farmer, B. L.
"Self-Assembly of Alkylammonium Chains on Montmorillonite: Effect of Chain Length, Head Group Structure, and Cation Exchange Capacity"
Proc. ACS Div. Polym. Chem. 2005, 46, 82-83.

Selected Press and Media Releases

3.Cleveland.com/business, 2011, May 7
"Cleveland choice awards announced" (KC’s Biena Tech won Launchtown Award $30k)
2.Columbus Dispatch, 2011, Jan 30, p. H3
"Mimicking Mollusks - With help of supercomputer, researcher hopes to unravel how nature forms shells, teeth and bone"
1.30+ online press releases including USA Today, Ohio Supercomputer Center, NSF 2010, December, entitled
"Simulations aim to unlock nature’s process of biomineralization", "Heinz accesses Ohio Supercomputing Center to study organic-inorganic binding"

Undisclosed Proprietary Work

1.Heinz, H. (for Sika AG, Zürich), 2004
"Modeling of organic oligomers on mineral surfaces"

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