Tuning colloidal quantum dot band edge positions through solution-phase surface chemistry modification DM Kroupa, M Vörös, NP Brawand, BW McNichols, EM Miller, J Gu, ... Nature communications 8 (1), 1-8, 2017 | 159 | 2017 |

Generalization of dielectric-dependent hybrid functionals to finite systems NP Brawand, M Vörös, M Govoni, G Galli Physical Review X 6 (4), 041002, 2016 | 60 | 2016 |

Surface dangling bonds are a cause of B-type blinking in Si nanoparticles NP Brawand, M Vörös, G Galli Nanoscale 7 (8), 3737-3744, 2015 | 42 | 2015 |

Flux-fusion anomaly test and bosonic topological crystalline insulators M Hermele, X Chen Physical Review X 6 (4), 041006, 2016 | 32 | 2016 |

Charge transport in nanostructured materials: implementation and verification of constrained density functional theory MB Goldey, NP Brawand, M Vörös, G Galli Journal of chemical theory and computation 13 (6), 2581-2590, 2017 | 28 | 2017 |

Defect states and charge transport in quantum dot solids NP Brawand, MB Goldey, M Voros, G Galli Chemistry of Materials 29 (3), 1255-1262, 2017 | 27 | 2017 |

Optical absorbance enhancement in PbS QD/cinnamate ligand complexes DM Kroupa, M Vörös, NP Brawand, N Bronstein, BW McNichols, ... The journal of physical chemistry letters 9 (12), 3425-3433, 2018 | 19 | 2018 |

Performance and self-consistency of the generalized dielectric dependent hybrid functional NP Brawand, M Govoni, M Vörös, G Galli Journal of chemical theory and computation 13 (7), 3318-3325, 2017 | 19 | 2017 |

Hydrogen treatment as a detergent of electronic trap states in lead chalcogenide nanoparticles M Voros, NP Brawand, G Galli Chemistry of Materials 29 (6), 2485-2493, 2017 | 15 | 2017 |

Designing Janus ligand shells on PbS quantum dots using ligand–ligand cooperativity ND Bronstein, MS Martinez, DM Kroupa, M Vörös, H Lu, NP Brawand, ... ACS nano 13 (4), 3839-3846, 2019 | 14 | 2019 |

Hidden connectivity in networks with vulnerable classes of nodes SM Krause, MM Danziger, V Zlatić Physical Review X 6 (4), 041022, 2016 | 9 | 2016 |

Group IV clathrates: Synthesis, optoelectonic properties, and photovoltaic applications L Krishna, AD Martinez, LL Baranowski, NP Brawand, CA Koh, ... Physics, Simulation, and Photonic Engineering of Photovoltaic Devices III …, 2014 | 7 | 2014 |

Excitations partition into two distinct populations in bulk perovskites L Wang, NP Brawand, M Vörös, PD Dahlberg, JP Otto, NE Williams, ... Advanced Optical Materials 6 (5), 1700975, 2018 | 6 | 2018 |

Silicon Clathrate Quantum Dots and the Allotropic Dependence of Quantum Confinement NP Brawand, MT Lusk The Journal of Physical Chemistry C 118 (46), 27091-27096, 2014 | 2 | 2014 |

Designing nanoparticle solar cells without defect states and with enhanced charge transport using ab initio simulations M Voeroes, N Brawand, F Giberti, G Galli ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |

Ab initio modeling of charge transport defects in quantum dot arrays M Goldey, N Brawand, M Voros, G Galli ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |

Design of colloidal semicondutor nanocrystals for enhanced absorption and band edge tuning exceeding 2.0 eV D Kroupa, M Voros, N Brawand, B McNichols, E Miller, J Gu, A Nozik, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |

The Optoelectronic Properties of Nanoparticles from First Principles Calculations NP Brawand The University of Chicago, 2017 | | 2017 |

Ligand engineering of lead chalcogenide nanoparticle solar cells M Voros, N Brawand, G Galli APS March Meeting Abstracts 2016, K52. 001, 2016 | | 2016 |

A non-empirical, parameter-free, hybrid functional for accurate calculations of optoelectronic properties of finite systems N Brawand, M Vörös, M Govoni, G Galli APS March Meeting Abstracts 2016, H31. 013, 2016 | | 2016 |