Bhaskar Chilukuri
Assistant Professor - Physical Chemistry
Office
SLB Science Laboratory Building 324
Office Hours
Mon. & Wed. 11-1 pm or by appt.
Office Phone
Email
- About
- Education
- Selected Research
Teaching Interests & Areas
Physical Chemistry
Surface Chemistry and Characterization
Computational Chemistry
Quantum Chemistry
Research Interests & Areas
Research in the Chilukuri lab involves studying molecular self-assembly and chemistry on ordered surfaces using experimental characterization and computational modeling. The projects are focused on investigating molecular interactions between adsorbate-adsorbate, adsorbate-substrate and harnessing them toward tunable molecular assembly. We also study surface supported metal-ligand coordination chemistry at the single molecule level. Additionally, we are interested in studying kinetics and thermodynamics of surface supported molecular assembly and reactions. Research involves experimental characterization with techniques like scanning tunneling microscopy (STM), atomic force microscopy (AFM) and spectroscopy in variable environments. All experiments are performed in conjunction with multiscale modeling using quantum mechanical and molecular dynamics methodology.
Post-Doc Surface Science
Washington State University
Pullman, WA
PhD Chemistry
University of North Texas
Denton, TX
Grants and Contracts
Cooperative processes at surfaces: Ligand binding at the single molecule level
Bhaskar Chilukuri,
National Science Foundation. June 2023 - May 2026
New Faculty Initiative Grant
Bhaskar Chilukuri
Illinois State University. July 1 2021 - July 31 2022
Cooperative dynamics ligand binding reactions
Bhaskar Chilukuri
The Extreme Science and Engineering Discovery Environment (XSEDE). November 4 2019 - November 3 2020
Cooperative dynamics in ligand binding reactions at the solution/solid interface
Bhaskar Chilukuri, Ursula Mazur, Kerry W Hipps
National Science Foundation. August 2018 - July 2022
Modeling fundamental properties of metal-organic species at solvent and non-solvent mediated interfaces
Bhaskar Chilukuri, Ursula Mazur, Kerry Hipps
EMSL, Pacific Northwest National Laboratory (PNNL). October 1 2015 - September 30 2017
Conference Proceeding
Epitaxial self-assembly of polymorphic, porous, and host-guest nanostructures on surfaces using monolayer-substrate interactions
Chilukuri, B., McDougald, Jr, R., Mazur, U., Omary, M., & Hipps, K.
(2016)
Structure, energetics, and chemistry of metal-organic species at surfaces/interfaces: How good is DFT?
Chilukuri, B., Hipps, U., & Hipps, K.
251, (2016)
Structure, energetics, and chemistry of metal-organic species at surfaces/interfaces: How good is DFT?
Bhaskar, C., Ursula, M., & Hipps, Kerry, W..
(2016)
Temperature dependence and desorption kinetics of metal porphyrins on Au(111)
Hipps, K., Mazur, U., Bhattarai, A., & Chilukuri, B.
(2014)
Atomic and Surface Interactions of Electrode Metals with a p-Type Organometallic Conductor
Chilukuri, B., & Cundari, T.
2011, Q24--007, (2011)
Computational study of d10 trinuclear cyclic complexes for metal-organic electronics applications
Chilukuri, B., Cundari, T., & Omary, M.
(2011)
Hexabromotriphenylene: A new organic n-type semiconductor
Halbert, J., McDougald, Jr., R., Chilukuri, B., Li, Y., Cundari, T., Du, J., & Omary, M.
(2011)
Modeling of novel p-type field-effect transistor behavior in trinuclear Au(I) complexes
Rabaa, H., McDougald, Jr., R., Chilukuri, B., Cundari, T., & Omary, M.
(2010)
Modeling silver and gold complexes for next generation electronic materials
Chilukuri, B., Cundari, T., Omary, M., & Gnade, B.
(2010)
Surface interactions of boron nitride on ruthenium (0001) surfaces
Morello, G., Cundari, T., Kelber, J., Chilukuri, B., Bjelkevig, C., & Zhou, M.
240, (2010)
Journal Article
Tailoring the dielectric and ferroelectric response of mixtures containing bent-core liquid crystals through light-irradiation and composition
Suthaharan, S., & Chilukuri, B.
Journal of Molecular Liquids, 399, 124371, (2024)
In-situ Study of a Highly Cooperative Thiophene and Co(II)porphyrin Complexation Reaction at the Solution/Solid Interface Supported by Computational Modeling
Johnson, K., Rana, S., Chilukuri, B., Hipps, K., & Mazur, U.
The Journal of Physical Chemistry, 126 (45), 19188-19199, (2022)
Role of the Supporting Surface in the Thermodynamics and Cooperativity of Axial Ligand Binding to Metalloporphyrins at Interfaces
Johnson, K., Chilukuri, B., Fisher, Z., Hipps, K., & Mazur, U.
Current Organic Chemistry, 26 (6), 553-562, (2022)
Au 3-to-Ag 3 coordinate-covalent bonding and other supramolecular interactions with covalent bonding strength
Lu, Z., Chilukuri, B., Yang, C., Rawashdeh, A., Arvapally, R., Tekarli, S., Wang, X., Cardenas, C., Cundari, T., & Omary, M.
Chemical Science, 11 (41), 11179--11188, (2020)
Au 3-to-Ag 3 coordinate-covalent bonding and other supramolecular interactions with covalent bonding strength
Lu, Z., Chilukuri, B., Yang, C., Rawashdeh, A., Arvapally, R., Tekarli, S., Wang, X., Cardenas, C., Cundari, T., & Omary, M.
Chemical Science, 11 (41), 11179--11188, (2020)
Cooperative Binding of 1-Phenylimidazole to Cobalt (II) Octaethylporphyrin on Graphite: A Quantitative Imaging and Computational Study at Molecular Resolution
Korpany, K., Chilukuri, B., Hipps, K., & Mazur, U.
The Journal of Physical Chemistry C, 124 (34), 18639-18649, (2020)
Cooperative Binding of 1-Phenylimidazole to Cobalt (II) Octaethylporphyrin on Graphite: A Quantitative Imaging and Computational Study at Molecular Resolution
Korpany, K., Chilukuri, B., Hipps, K., & Mazur, U.
The Journal of Physical Chemistry C, 124 (34), 18639-18649, (2020)
Structure, Properties, and Reactivity of Porphyrins on Surfaces and Nanostructures with Periodic DFT Calculations
Chilukuri, B., Mazur, U., & Hipps, K.
Applied Sciences, 10 (3), 740, (2020)
Structure, Properties, and Reactivity of Porphyrins on Surfaces and Nanostructures with Periodic DFT Calculations
Chilukuri, B., Mazur, U., & Hipps, K.
Applied Sciences, 10 (3), 740, (2020)
Connecting Solution-Phase to Single-Molecule Properties of Ni (Salophen)
Zhang, Y., Chilukuri, B., Hanson, T., Heiden, Z., & Lee, D.
The journal of physical chemistry letters, 10 (13), 3525--3530, (2019)
Connecting Solution-Phase to Single-Molecule Properties of Ni (Salophen)
Zhang, Y., Chilukuri, B., Hanson, T., Heiden, Z., & Lee, D.
The journal of physical chemistry letters, 10 (13), 3525--3530, (2019)
Cooperativity and coverage dependent molecular desorption in self-assembled monolayers: computational case study with coronene on Au (111) and HOPG
Chilukuri, B., Mazur, U., & Hipps, K.
Physical Chemistry Chemical Physics, 21 (20), 10505--10513, (2019)
Cooperativity and coverage dependent molecular desorption in self-assembled monolayers: computational case study with coronene on Au (111) and HOPG
Chilukuri, B., Mazur, U., & Hipps, K.
Physical Chemistry Chemical Physics, 21 (20), 10505--10513, (2019)
Tuning the optoelectronic characteristics of ionic organic crystalline assemblies
Borders, B., Adinehnia, M., Chilukuri, B., Ruf, M., Hipps, K., & Mazur, U.
Journal of Materials Chemistry C, 6 (15), 4041--4056, (2018)
Structure-Function Correlation of Photoactive Ionic pi-Conjugated Binary Porphyrin Assemblies
Adinehnia, M., Borders, B., Ruf, M., Chilukuri, B., Mazur, U., & Hipps, K.
MRS Advances, 2 (42), 2267--2273, (2017)
Comprehensive structure--function correlation of photoactive ionic pi-conjugated supermolecular assemblies: an experimental and computational study
Adinehnia, M., Borders, B., Ruf, M., Chilukuri, B., Hipps, K., & Mazur, U.
Journal of Materials Chemistry C, 4 (43), 10223--10239, (2016)
Comprehensive structure--function correlation of photoactive ionic pi-conjugated supermolecular assemblies: an experimental and computational study
Adinehnia, M., Borders, B., Ruf, M., Chilukuri, B., Hipps, K., & Mazur, U.
Journal of Materials Chemistry C, 4 (43), 10223--10239, (2016)
Surface directed reversible imidazole ligation to nickel (II) octaethylporphyrin at the solution/solid interface: a single molecule level study
Nandi, G., Chilukuri, B., Hipps, K., & Mazur, U.
Physical Chemistry Chemical Physics, 18 (30), 20819--20829, (2016)
Surface directed reversible imidazole ligation to nickel (II) octaethylporphyrin at the solution/solid interface: a single molecule level study
Nandi, G., Chilukuri, B., Hipps, K., & Mazur, U.
Physical Chemistry Chemical Physics, 18 (30), 20819--20829, (2016)
Kinetically Trapped Two-Component Self-Assembled Adlayer
Jahanbekam, A., Chilukuri, B., Mazur, U., & Hipps, K.
The Journal of Physical Chemistry C, 119 (45), 25364-25376, (2015)
Kinetically Trapped Two-Component Self-Assembled Adlayer
Jahanbekam, A., Chilukuri, B., Mazur, U., & Hipps, K.
The Journal of Physical Chemistry C, 119 (45), 25364-25376, (2015)
Polymorphic, Porous, and Host--Guest Nanostructures Directed by Monolayer--Substrate Interactions: Epitaxial Self-Assembly Study of Cyclic Trinuclear Au (I) Complexes on HOPG at the Solution--Solid Interface
Chilukuri, B., McDougald, Jr, R., Ghimire, M., Nesterov, V., Mazur, U., Omary, M., & Hipps, K.
The Journal of Physical Chemistry C, 119 (44), 24844--24858, (2015)
Polymorphic, Porous, and Host--Guest Nanostructures Directed by Monolayer--Substrate Interactions: Epitaxial Self-Assembly Study of Cyclic Trinuclear Au (I) Complexes on HOPG at the Solution--Solid Interface
Chilukuri, B., McDougald, Jr, R., Ghimire, M., Nesterov, V., Mazur, U., Omary, M., & Hipps, K.
The Journal of Physical Chemistry C, 119 (44), 24844--24858, (2015)
Effect of dispersion on surface interactions of cobalt (II) octaethylporphyrin monolayer on Au (111) and HOPG (0001) substrates: a comparative first principles study
Chilukuri, B., Mazur, U., & Hipps, K.
Physical Chemistry Chemical Physics, 16 (27), 14096--14107, (2014)
Effect of dispersion on surface interactions of cobalt (II) octaethylporphyrin monolayer on Au (111) and HOPG (0001) substrates: a comparative first principles study
Chilukuri, B., Mazur, U., & Hipps, K.
Physical Chemistry Chemical Physics, 16 (27), 14096--14107, (2014)
Presentations
Using Halogen Bonding as Building Blocks for 2D Self-assembled Nanostructures
Bhaskar Chilukuri
2022 NSF Chemistry Early Career Investigator Workshop, Alexandria, Virginia, June 6, 2022