Anastassia N. Alexandrova

University of California, Los Angeles — United States

Materials Science · Physical Sciences

57h-index12.0kcitations496works6.62yr avg
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Research Topics

Catalytic Processes in Materials Science(87), Machine Learning in Materials Science(57), Catalysis and Oxidation Reactions(53), Boron and Carbon Nanomaterials Research(49), Advanced Chemical Physics Studies(48)

Publications496 total

Low-Temperature Non-Oxidative Coupling of Methane on Atomically Dispersed Titanium–Aluminum–Boron Nanopowder
Journal of the American Chemical Society·2026
Designing an Artificial Metalloenzyme for Re(I)-catalyzed CO2 Photoreduction
2026Open Access
The Crucial Role of Hydrogen Ligation in the Stability of Single Atoms on Rutile TiO <sub>2</sub> : A First-Principles Study
ACS Applied Materials & Interfaces·2026
Turnovers drive supported metal nanoparticle catalyst surface reconstruction to kinetically trapped metastable structures
2026Open Access
Solution and Active Site Speciation Drive Selectivity for Electrocatalytic Reactive Carbon Capture in Diethanolamine over Ni–N–C Catalysts
Journal of the American Chemical Society·2026· 1 citedOpen Access
Phonon-induced electronic degeneracy breaking: a SSAdNDP interpretation
arXiv (Cornell University)·2025Open Access
Phonon-induced electronic degeneracy breaking: a SSAdNDP interpretation
ArXiv.org·2025Open Access
Adiabatic Anisotropic Gravitational Collapse in Painlevé-Gullstrand Coordinates: A Geometric Analysis
arXiv (Cornell University)·2025Open Access
Highly Active Hydrogen Evolution Reaction (HER) Catalysts Formed by Energetic Pt <sub> <i>n</i> </sub> Cluster Deposition: Deposition Dynamics and the HER Mechanism
Journal of the American Chemical Society·2025
Designing an Artificial Metalloenzyme for Re-based CO2 Photoreduction
2025Open Access
Role of Surface Hydroxyls in Atomic-Scale Copper Restructuring during CO Electroreduction
Journal of the American Chemical Society·2025· 4 citedOpen Access
Vibronic coupling limits the use of high-lying electronic states in complex molecules for laser cooling
Physical Review Research·2025· 2 citedOpen Access
Temperature-Dependent Adsorbate-Induced Surface Roughening Onset in Electrochemical CO <sub>2</sub> Reduction on Copper
The Journal of Physical Chemistry Letters·2025Open Access
Bulk‐Boundary Correspondence of Semimetal Ru <sub>3</sub> Sn <sub>7</sub> and Topological Surface States on Chemically Realistic Terminations
Advanced Materials Interfaces·2025Open Access
CO2 Electroreduction on Borated Copper Surfaces: Boron Active Sites, not Copper
2025
Optimizing CO <sub>2</sub> -Loaded Aqueous Amine Solutions for Higher Electrocatalytic CO <sub>2</sub> Reduction Activity
Journal of the American Chemical Society·2025· 1 cited
Uncovering the True Active Sites in Ni–N–C Catalysts for CO <sub>2</sub> Electroreduction
Journal of the American Chemical Society·2025· 3 citedOpen Access
Bottom-up approach to making larger hydrocarbon molecules capable of optical cycling
Nature Chemistry·2025· 1 citedOpen Access
Author response for "Multi-level QTAIM-Enriched Graph Neural Networks for Resolving Properties of Transition Metal Complexes"
2025
Highly active hydrogen evolution reaction (HER) catalysts formed by energetic Ptn cluster deposition: Deposition dynamics and the HER mechanism
2025
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Frequent Co-authors

Alexander I. Boldyrev(13), Lai‐Sheng Wang(10), Hua‐Jin Zhai(9), Zisheng Zhang(8), Chengzhang Wan(3), Sibo Wang(3), Aamir Hassan Shah(3), Yu Huang(3), Xiangfeng Duan(3), Huanchen Zhai(3), Jiyuan Liu(3), Daniel Bím(3), Jenny Y. Yang(3), William L. Jorgensen(3), Kean Birch(2), Borna Zandkarimi(2), Eric T. Baxter(2), Mai-Anh Ha(2), Ashley C. Cass(2), Scott L. Anderson(2)