People

Alessio
Petrone
Alumni, Postdoctoral Researcher
Currently: Research Scientist at University of Naples – Federico II

Alessio Petrone portrait
[email protected]


Education


Awards

  • 2017
    Poster Award at the 1st Northwest Theoretical Chemistry Conference Journal of Chemical Physics
  • 2011
    Scholarship for the Ph.D. School in Chemical Sciences Italian Ministry of Education, University and Research


Publications

  1. Electronic Structures and Spectroscopic Signatures of Noble-Gas-Doped Nanodiamonds
    Ryan A. Beck, Yue Huang, Alessio Petrone, Joseph W. Abbott, Peter J. Pauzauskie, and Xiaosong Li
    ACS Physical Chemistry Au2023, 10.1021/acsphyschemau.2c00072
  2. Nature of the Ultrafast Interligands Electron Transfers in Dye-Sensitized Solar Cells
    Fulvio Perrella, Xiaosong Li, Alessio Petrone, and Nadia Rega
    JACS Au2023, 3, 70-79
  3. The Chronus Quantum (ChronusQ) Software Package
    Williams-Young, David B and Petrone, Alessio and Sun, Shichao and Stetina, Torin F and Lestrange, Patrick and Hoyer, Chad E and Nascimento, Daniel R and Koulias, Lauren and Wildman, Andrew and Kasper, Joseph and Goings, Joshua J. and Ding, Feizhi and DePrince III, A. Eugene and Valeev, Edward F. and Li, Xiaosong
    WIREs Comput. Mol. Sci2020, 10, e1436
  4. Spectroscopic Signatures of the B and H4 Polyatomic Nitrogen Aggregates in Nanodiamond
    Ryan A. Beck, Lixin Lu, Alessio Petrone, Amanda C. Ong, Peter J. Pauzauskie, and Xiaosong Li
    J. Phys. Chem. C2020, 124, 18275-18283
  5. High Pressure, High Temperature Molecular Doping of Nanodiamond
    M. Crane, A. Petrone, R. A. Beck, M. Lim, X. Zhou, X. Li, R. M. Stroud, P. Pauzauskie
    Sci. Adv.2019, 5, eaau6073
  6. Carboxylate Anchors Act as Exciton Reporters in 1.3 nm Indium Phosphide Nanoclusters
    J. Leger, M. Friedfeld, R. Beck, J. Gaynor, A. Petrone, X. Li, B. Cossairt, M. Khalil
    J. Phys. Chem. Lett.2019, 10, 1833–1839
  7. Effect of Surface Passivation on Nanodiamond Crystallinity
    R. Beck, A. Petrone, J. M. Kasper, M. Crane, P. Pauzauskie, X. Li
    J. Phys. Chem. C.2018, 122, 8573-8580
  8. Mapping Vibronic Couplings in a Solar Cell Dye with Polarization-Selective Two-Dimensional Electronic-Vibrational Spectroscopy
    J. Gaynor, A. Petrone, X. Li, M. Khalil
    J. Phys. Chem. Lett.2018, 9, 6289–6295
  9. Electronic Structures and Spectroscopic Signatures of Silicon-Vacancy Containing Nanodiamonds
    A. Petrone, R. A. Beck, J. M. Kasper, X. Li, Y. Huang, M. Crane, and P. Pauzauskie
    Phys. Rev. B.2018, 98, 205405
  10. An Efficient Implementation of Two-Component Relativistic Density Functional Theory with Torque-Free Auxiliary Variables
    A. Petrone, D. B. Williams-Young, S. Sun, T. F. Stetina, X. Li
    Eur. Phys. J. B2018, 91, 169
  11. Investigating the Role of Amine in InP Nanocrystal Synthesis: Destabilizing Cluster Intermediates by Z-type Ligand Displacement
    D. C. Gary, A. Petrone, X. Li, B. M. Cossairt
    Chem. Commun.2017, 53, 161-164
  12. Ab Initio Excited State Transient Raman Analysis
    A. Petrone, D. B. Williams-Young, D. B. Lingerfelt, X. Li
    J. Phys. Chem. A2017, 121, 3958–3965
  13. Cation exchange induced transformation of InP magic-sized clusters
    J. L. Stein, M. Stemle, M. W. Terban, A. Petrone, S. J. L. Billinge, X. Li, B. M. Cossairt
    Chem. Mater.2017, 29, 7984–7992
  14. Ab Initio Transient Vibrational Spectral Analysis
    A. Petrone, D. B. Lingerfelt, D. B. Williams-Young, X. Li
    J. Phys. Chem. Lett.2016, 7, 4501
  15. Mixed Cation FAxPEA1–xPbI3 with Enhanced Phase and Ambient Stability toward High-Performance Perovskite Solar Cells
    N. Li, Z. Zhu, C.-C. Chueh, H. Liu, B. Peng, A. Petrone, X. Li, L. Wang, A. K.-Y. Jen
    Adv. Energy Mater.2016, 1601307
  16. Quantum Confinement Effects on Optical Transitions in Nanodiamonds Containing Nitrogen Vacancies
    A. Petrone, J. J. Goings, X. Li
    Phys. Rev. B2016, 94, 165402
  17. 'Watching' Polaron Pair Formation from First-Principles Electron-Nuclear Dynamics
    G. Donati, D. B. Lingerfelt, A. Petrone, N. Rega, X. Li
    J. Phys. Chem. A2016, 120, 72557261
  18. Classical or Quantum? A Computational Study of Small Ion Diffusion in II-VI Semiconductor Quantum Dots
    E. Q. Chong, D. B. Lingerfelt, A. Petrone, X. Li
    J. Phys. Chem. C2016, 120, 19434
  19. Does Thermal Breathing Affect Collision Cross Sections of Gas-Phase Peptide Ions? An Ab Initio Molecular Dynamics Study
    R. Pepin, A. Petrone, K. J. Laszlo, M. F. Bush, X. Li, F. Tureček
    J. Phys. Chem. Lett.2016, 7, 2765
  20. Direct Ab Initio (Meta-)Surface-Hopping Dynamics
    D. B. Lingerfelt, D. B. Williams-Young, A. Petrone, X. Li
    J. Chem. Theory Comput.2016, 12, 935–945
  21. Single Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster
    D. C. Gary, S. E. Flowers, W. Kaminsky, A. Petrone, X. Li, B. M. Cossairt
    J. Am. Chem. Soc.2016, 138, 1510
  22. From Charge-Transfer to Charge-Separated State: A Perspective from the Real-Time TDDFT Excitonic Dynamics
    A. Petrone, D. B. Lingerfelt, N. Rega, X. Li
    Phys. Chem. Chem. Phys.2014, 16, 24457