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
Bhaskar Chilukuri, Roy N. McDougald, Jr, Ursula Mazur, Mohammad A. Omary, Kerry W. Hipps.
(2016)
Structure, energetics, and chemistry of metal-organic species at surfaces/interfaces: How good is DFT?
Bhaskar Chilukuri, Ursula Mazur Hipps, KW Hipps.
251, (2016)
Structure, energetics, and chemistry of metal-organic species at surfaces/interfaces: How good is DFT?
Chilukuri Bhaskar, Mazur Ursula, Hipps, Kerry, W..
(2016)
Temperature dependence and desorption kinetics of metal porphyrins on Au(111)
K. W. Hipps, Ursula Mazur, Ashish Bhattarai, Bhaskar Chilukuri.
(2014)
Atomic and Surface Interactions of Electrode Metals with a p-Type Organometallic Conductor
Bhaskar Chilukuri, Thomas Cundari.
2011, Q24--007, (2011)
Computational study of d10 trinuclear cyclic complexes for metal-organic electronics applications
Bhaskar Chilukuri, Thomas R. Cundari, Mohammad A. Omary.
(2011)
Hexabromotriphenylene: A new organic n-type semiconductor
Jason P. Halbert, Roy N. McDougald, Jr., Bhaskar Chilukuri, Yun Li, Thomas R. Cundari, Jincheng Du, Mohammad A. Omary.
(2011)
Modeling of novel p-type field-effect transistor behavior in trinuclear Au(I) complexes
Hassan Rabaa, Roy N. McDougald, Jr., Bhaskar Chilukuri, Thomas R. Cundari, Mohammad A. Omary.
(2010)
Modeling silver and gold complexes for next generation electronic materials
Bhaskar Chilukuri, Thomas R. Cundari, Mohammad A. Omary, Bruce Gnade.
(2010)
Surface interactions of boron nitride on ruthenium (0001) surfaces
Glenn R Morello, Thomas R Cundari, Jeffry A Kelber, Bhaskar Chilukuri, Cameron Bjelkevig, Mi Zhou.
240, (2010)
Journal Article
Tailoring the dielectric and ferroelectric response of mixtures containing bent-core liquid crystals through light-irradiation and composition
Sivanujan Suthaharan, Bhaskar Chilukuri.
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
Kristen N Johnson, Shammi Rana, Bhaskar Chilukuri, K.W. Hipps, Ursula Mazur.
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
Kristen N Johnson, Bhaskar Chilukuri, Zachary E Fisher, K.W. Hipps, Ursula Mazur.
Current Organic Chemistry, 26 (6), 553-562, (2022)
Au 3-to-Ag 3 coordinate-covalent bonding and other supramolecular interactions with covalent bonding strength
Zhou Lu, Bhaskar Chilukuri, Chi Yang, Abdel-Monem M Rawashdeh, Ravi K Arvapally, Sammer M Tekarli, Xiaoping Wang, Christian T Cardenas, Thomas R Cundari, Mohammad A Omary.
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
Katalin V Korpany, Bhaskar Chilukuri, Kerry W Hipps, Ursula Mazur.
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
Bhaskar Chilukuri, Ursula Mazur, KW Hipps.
Applied Sciences, 10 (3), 740, (2020)
Connecting Solution-Phase to Single-Molecule Properties of Ni (Salophen)
Yi C Zhang, Bhaskar Chilukuri, Tanner B Hanson, Zachariah M Heiden, David Y Lee.
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
Bhaskar Chilukuri, Ursula Mazur, KW Hipps.
Physical Chemistry Chemical Physics, 21 (20), 10505--10513, (2019)
Tuning the optoelectronic characteristics of ionic organic crystalline assemblies
Bryan Borders, Morteza Adinehnia, Bhaskar Chilukuri, Michael Ruf, KW Hipps, Ursula Mazur.
Journal of Materials Chemistry C, 6 (15), 4041--4056, (2018)
Structure-Function Correlation of Photoactive Ionic pi-Conjugated Binary Porphyrin Assemblies
Morteza Adinehnia, Bryan Borders, Michael Ruf, Bhaskar Chilukuri, Ursula Mazur, KW Hipps.
MRS Advances, 2 (42), 2267--2273, (2017)
Comprehensive structure--function correlation of photoactive ionic pi-conjugated supermolecular assemblies: an experimental and computational study
Morteza Adinehnia, Bryan Borders, Michael Ruf, Bhaskar Chilukuri, KW Hipps, Ursula Mazur.
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
Goutam Nandi, Bhaskar Chilukuri, KW Hipps, Ursula Mazur.
Physical Chemistry Chemical Physics, 18 (30), 20819--20829, (2016)
Kinetically Trapped Two-Component Self-Assembled Adlayer
Abdolreza Jahanbekam, Bhaskar Chilukuri, Ursula Mazur, KW Hipps.
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
Bhaskar Chilukuri, Roy N McDougald, Jr, Mukunda M Ghimire, Vladimir N Nesterov, Ursula Mazur, Mohammad A Omary, KW Hipps.
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
Bhaskar Chilukuri, Ursula Mazur, Kerry W Hipps.
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