Publications

In Submission

H. C. Herbol, W. Hu, P. Clancy, and M. Poloczek, Efficient Search of a Complex Compositional Space of Hybrid Organic-Inorganic Perovskite Candidates via Bayesian Optimization, [In Submission] (2018).

H. Xu, K. Kasahara, H. C. Herbol, V. Kosma, J. Odent, P. Clancy, E. P. Giannelis and C. K. Ober, A Zinc-cluster based Photoresist for Extreme Ultraviolet Lithography, [In Review] (2018).

V. C. Sorg, S. N. Zhang, M. O. Hill, M. Reveil, X. Ma, A. Jacobs, P. Clancy, and M. O. Thompson, Sub-millisecond thermal annealing of InGaAs: Processing Limits and Dopant Activation, J. Electrochem. Society, [In Review] (2018).

Recent Publications

J. M. Stevenson, A. W. Ruttinger and P. Clancy, Uncovering the Mechanism Initiating the Nucleation of Lead Sulfide Quantum Dots through a Hines Synthesis, J. Mater. Chem. A (2018). [† co-first authors]

M. Reveil and P. Clancy, Classification of spatially resolved molecular fingerprints for machine learning applications and 10 development of a codebase for their
implementation, Mol. Syst. Des. Eng., 00, 1–11 (2018). [invited paper]

J. S. Brown, Y. M. Acevedo, G. D. He, J. H. Freed, P. Clancy and C. A. Alabi, Synthesis and Solution-Phase Characterization of Sulfonated Oligothioetheramides, Macromolecules, 50 (21), 8731–8738 (2017).

M. Reveil, J. Wang, M. O. Thompson and P. Clancy, Preferred Diffusional Pathways of Intrinsic Defects and Silicon Dopants in an Ordered Phase of In0.5Ga0.5As: A First-principles Study, Acta Mater., 140, 39-45 (2017).

M. Reveil, H. Huang, H. Chen, J. Liu, M. O. Thompson and P. Clancy, Ab Initio Studies of the Diffusion of Intrinsic Defects and Silicon Dopants in Bulk InAs, Langmuir, 33 (42), 11484-11489 (2017).

M. Reveil, V. C. Sorg, E. R. Cheng, T. Ezzyat, P. Clancy and M. O. Thompson, Finite Element and Analytical Solutions for Van der Pauw and Four-point Probe Correction Factors when Multiple Non-ideal Measurement Conditions Coexist, Rev. Sci. Instrum., 88, 094704 (2017).

M. Reveil, A. Tandia, J. Luo, K. D. Vargheese, S. Goyal, J. C. Mauro and P. Clancy, Modeling the Thermal Poling of Glasses using Molecular Dynamics. Part 2: Effects on Elastic Properties, J. Non-Cryst. Solids, 468, 17-26 (2017).

H. C. Herbol, J. M. Stevenson and P. Clancy, Computational Implementation of Nudged Elastic Band, Rigid Rotation, and Corresponding Force Optimization, J. Chem. Theory Comput., 13 (7), 3250–3259 (2017).

A. Tandia, M. Reveil, K. D. Vargheese, J. Luo, J. C. Mauro and P. Clancy, Modeling the Thermal Poling of Glasses using Molecular Dynamics. Part 1: Effects on Glass Structure, J. Non-Cryst. Solids, 461, 98-103 (2017).

B. Lukose, S. V. Bobbili and P. Clancy, Factors Affecting Tacticity and Aggregation of P3HT Polymers in P3HT:PCBM Blends, Mol. Simul., 43 (10-11), 743-755 (2017).

B. T. Koo, R. F. Heden, and P. Clancy, Nucleation and Growth of 2D Covalent Organic Frameworks: Polymerization and Crystallization of COF Monomers, Phys. Chem. Chem. Phys., 19, 9745-9754 (2017). († Inside front cover image)

J. M. Stevenson, B. A. Sorenson, V. H. Subramaniam, J. Raiford, P. P. Khlyabich, Y. Loo and P. Clancy, Mayer Bond Order as a Metric of Complexation Effectiveness in Lead Halide Perovskite Solutions, Chem. Mater., 29 (6), 2435-2444 (2017).

B. J. Foley, J. Girard, B. A. Sorenson, A. Z. Chen, J. S. Niezgoda, M. R. Alpert, A. F. Harper, D. Smilgies, P. Clancy, W. A. Saidi and J. J. Choi, Controlling Nucleation, Growth, and Orientation of Metal Halide Perovskite Thin Films with Rationally Selected Additives, J. Mater. Chem. A, 5, 113-123 (2017).

J. Wang, B. Lukose, M. O. Thompson and P. Clancy, Ab initio Modeling of Vacancies, Antisites, and Si Dopants in Ordered InGaAs, J. Appl. Phys., 121, 045106 (2017).

J. Gao, N. Sengar, Y. Wu, S. Jockusch, C. Nuckolls, P. Clancy and Y. Loo, Contorted Octabenzocircumbiphenyl Sorts Semiconducting Single-Walled Carbon Nanotubes with Structural Specificity, Chem. Mater., 29 (2), 595–604 (2017).

J. D. Saathoff and P. Clancy, Effect of Edge-functionalization on the Ease of Graphene Nanoribbon Aggregation in Solvent, Carbon, 115, 154-161 (2017).

J. Gao, F. Uribe-Romo, J.D. Saathoff, H. Arslan, C. R. Crick, S. J. Hein, B. Itin, P. Clancy, W.R. Dichtel and Y.-L. Loo, Ambipolar Transport in Solution-Synthesized Graphene Nanoribbons, ACS Nano, 10, 4847-4856 (2016).

Y. M. Acevedo, D. L. Koch and P. Clancy, Multiscale Simulation and Theoretical Description of Multilayer Heteroepitactic Growth of C60 on Pentacene, Langmuir, 32 (12), 3045-3056 (2016).

B. Lukose and P. Clancy, A Feasibility Study of Unconventional Planar Ligand Spacers in Chalcogenide Nanocrystals, Phys. Chem. Chem. Phys., 13781-13793 (2016). († back cover image)

J. Andrejevic, J. M. Stevenson and P. Clancy, Simple Molecular Reactive Force Field for Metal-Organic Synthesis, J. Chem. Theor. Comp., 12 (2), 825-838 (2016).