Alexandra R McIsaac

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 8

Top Topics

Density Functional Theory

Perovskite Solar Cells

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

Nature communications

This page only lists publications with an associated author ORCID identifier.

Publications

Ezra Alexander, Matthias Kick, Alexandra R McIsaac, Troy Van Voorhis
Understanding Trap States in InP and GaP Quantum Dots through Density Functional Theory. Nano letters (2024)
Alexandra R McIsaac, Tamar Goldzak, Troy Van Voorhis
It Is a Trap!: The Effect of Self-Healing of Surface Defects on the Excited States of CdSe Nanocrystals. The journal of physical chemistry letters (2023)
Elliot C Rossomme, Leonardo A Cunha, Wan-Lu Li, Kai-Xuan Chen, Alexandra R McIsaac, Teresa Head-Gordon, Martin Head-Gordon
The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional Theory. Journal of chemical theory and computation 19 (10) (2023)
Alexandra R McIsaac, Tamar Goldzak, Troy Van Voorhis
It Is a Trap!: The Effect of Self-Healing of Surface Defects on the Excited States of CdSe Nanocrystals. The journal of physical chemistry letters 14 (5) (2023)
Elliot C Rossomme, Leonardo A Cunha, Wan-Lu Li, Kai-Xuan Chen, Alexandra R McIsaac, Teresa Head-Gordon, Martin Head-Gordon
The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional Theory. Journal of chemical theory and computation (2023)
Matthias Ginterseder, Weiwei Sun, Wenbi Shcherbakov-Wu, Alexandra R McIsaac, David B Berkinsky, Alexander E K Kaplan, Juanye Zhang, Chantalle Krajewska, Tara Šverko, Collin F Perkinson, Hendrik Utzat, William A Tisdale, Troy Van Voorhis, Moungi G Bawendi
Lead Halide Perovskite Nanocrystals with Low Inhomogeneous Broadening and High Coherent Fraction through Dicationic Ligand Engineering. Nano letters (2023)
Tamar Goldzak, Alexandra R McIsaac, Troy Van Voorhis
Colloidal CdSe nanocrystals are inherently defective. Nature communications 12 (1) (2021)
Katherine E Shulenberger, Sophie C Coppieters 't Wallant, Megan D Klein, Alexandra R McIsaac, Tamar Goldzak, David B Berkinsky, Hendrik Utzat, Ulugbek Barotov, Troy Van Voorhis, Moungi G Bawendi
Resolving the Triexciton Recombination Pathway in CdSe/CdS Nanocrystals through State-Specific Correlation Measurements. Nano letters 21 (18) (2021)