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O

Oleg V. Prezhdo

university of new mexico

98H-index
803Paper Count
3.4WCitation Count
Published Papers 360
Publication Date
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Band Gap Renormalization Drives Ultrafast Charge Separation and Slow Recombination in Covalently Functionalized Carbon Nanotubes: Nonadiabatic Molecular Dynamics Simulation
errJournal of the American Chemical Society
IF15.6
err2026-06-05
err0
PREAI
errUttam Chowdhury; Shrabanti Mondal; Subhajit Dey; Anik Ratan Das; Ritabrata Sarkar; Mohit Chaudhary; Andrey S. Vasenko; Oleg V. Prezhdo; Sougata Pal
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Spacer Cation-Driven Band-Edge Reconstruction and Carrier Lifetime Enhancement in Two-Dimensional Ruddlesden–Popper Perovskites
errChemistry of Materials
IF7
err2026-06-01
err0
PREAI
errXuesong Tian; Haoran Lu; Oleg V. Prezhdo; Run Long
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Designing Coherence in Perovskite Quantum Dot Assemblies by Choice of Ligand
errThe Journal of Physical Chemistry Letters
IF0
err2026-05-29
err0
PREAI
errShriya Gumber; Mohit Chaudhary; Carlos Mora Perez; Nicholas Favate; Libai Huang; Christina W. Li; Oleg V. Prezhdo
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Many-Body Exciton Interactions; Coherence; and Transport in Perovskite Quantum Dots
errNano Letters
IF9.1
err2026-05-22
err0
PREAI
errKinjol Barua; Sonja G. Nusser; Shriya Gumber; Nicholas R. Favate; Emma Daggett; Meng-Jia Sun; Jonathan D. Hood; Jianshu Cao; Christina W. Li; Oleg V. Prezhdo; Libai Huang
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Design of Twisted Metal Intercalated Bilayer for Descriptor of Electrocatalytic Urea Synthesis
errThe Journal of Physical Chemistry Letters
IF0
err2026-05-14
err0
PREAI
errHaoxiang Zhang; Oleg V. Prezhdo; Lai Xu
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Twist Engineering of M2CO/BCN Heterostructures for Descriptor of Urea Electrocatalysis
errJournal of the American Chemical Society
IF15.6
err2026-04-30
err0
PREAI
errHaoyu Wang; Oleg V. Prezhdo; Lai Xu
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Plasmonic Au-Assisted g-C3N4/CeO2 Heterojunction for Enhanced Photocatalytic Breakdown of Organic Pollutants
errThe Journal of Physical Chemistry Letters
IF0
err2026-04-24
err0
PREAI
errRathish S; Andrey S. Vasenko; Abhijith Thazhathenair; Elena A. Kazakova; Arkady A. Shanenko; Jibon Saikia; Oleg V. Prezhdo; Abinash Das
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Optimal Design of Copper-Doped ZnO Heterostructures for Photocatalytic and Photoeletrochemical Performance: A Combined Experimental and DFT Study
errThe Journal of Physical Chemistry Letters
IF0
err2026-04-16
err0
PREAI
errRiu Riu Wary; Barnali Mahato; Neha Sharma; Sandip Paul Choudhury; Elena A. Kazakova; Ahmad Ostovari Moghaddam; Oleg V. Prezhdo; Andrey S. Vasenko; Abinash Das
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errSave
Photoelectrocatalytic Chemical Pathways in Photoassisted Lithium–Sulfur Batteries via a Multiscale Graph-Based Machine Learning Framework
errJournal of the American Chemical Society
IF15.6
err2026-03-27
err0
PREAI
errKong Meng; Haoran Lu; Xuesong Tian; Zihang Liu; Wei-Hai Fang; Oleg V. Prezhdo; Run Long
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errSave
Dimerization of Organic Cations Triggered by Self-Interstitials Enhances the Stability and Carrier Lifetime of FAPbI3 Perovskites
errNano Letters
IF9.1
err2026-03-06
err0
PREAI
errPingzhi Zhang; Qinxue Zhang; Di Lei; Ran Jia; Oleg V. Prezhdo; Wei Li
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errSave
Charge Loss in Hybrid Metal Halide Perovskites from Hydrogen Defects: Machine Learning Aided Nonadiabatic Molecular Dynamics
errJournal of the American Chemical Society
IF15.6
err2026-03-06
err0
PREAI
errLinyu Bai; Zihang Liu; Wei-Hai Fang; Oleg V. Prezhdo; Run Long
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Band Structure-Driven Design of a α-CsPbI3 Ammonia Sensor for Industrial Applications
errNanomaterials
IF4.3
err2026-03-05
err0
errOAAI
errSean Nations; Lavrenty Gutsev; Oleg Prezhdo; Bala Ramachandran; Yuhua Duan; Shengnian Wang
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errSave
Multiphosphorylated molecules for buried interface regulation of inverted perovskite solar cells in a two-step process
errenergy environ. sci.
IF0
err2026-03-04
err0
PREAI
errShizi Luo; Zhuoneng Bi; Liyao Xiong; Tongjun Zheng; Xiaochun Wei; Youliang Nie; Biniyam Zemene Taye; Jing Zhou; Haider Ali Tauqeer; Lavrenty Gutsev; Andrey Vasenko; Gennady Gutsev; Oleg Prezhdo; Huangzhong Yu; Xueqing Xu
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Rapid Prediction of Hot-Carrier Relaxation by Learning of Nonadiabatic Hamiltonians with Graph Neural Networks
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-27
err0
PREAI
errKong Meng; Haoran Lu; Xuhui Xu; Oleg V. Prezhdo; Run Long
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errSave
Co-passivation of Buried Interfaces in Perovskite Solar Cells with Sulfonate and Amine Salts
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2026-01-01
err0
PREAI
errTaye, Biniyam Zemene; Bi, Zhuoneng; Zhilenkov, Alexander V.; Cao, Shuguang; Luo, Shizi; Gutsev, Lavrenty G.; Liu, Dongyu; Saidani, Okba; Gutsev, Gennady L.; Vasenko, Andrey S.; Prezhdo, Oleg V.; Xu, Xueqing
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Identifying Optimal Alkaline Earth Metal to Passivate Oxygen Vacancies and Enhance Carrier Lifetimes in Transition Metal Oxides
errChemistry of Materials
IF7
err2025-12-23
err0
PREAI
errChunyang Zhang; Wenjia Gu; Elizabeth Stippell; Oleg V. Prezhdo; Maochang Liu; Liejin Guo
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Ab Initio Nonadiabatic Molecular Dynamics in Weakly Coupled Nanosystems
errJournal of Chemical Theory and Computation
IF5.5
err2025-12-02
err0
PREAI
errWei Li; Pingzhi Zhang; Deyang Kong; Lingjun Zhou; Elizabeth Stippell; David Beljonne; Oleg V. Prezhdo
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Hydrogen Disproportionation Reduces the Bandgap and Prolongs the Carrier Lifetime in Cs2AgBiBr6: Quantum Dynamics Analysis
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-12-01
err0
PREAI
errAmirov, Emir S.; Liu, Dongyu; Samatov, Mikhail R.; Abrameshin, Dmitrii A.; Abrameshin, Andrey E.; Kramarenko, Alexander S.; Troshin, Pavel A.; Chu, Weibin; Zhou, Huanping; Vasenko, Andrey S.; Prezhdo, Oleg V.
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Compression-Induced Lattice Tilting Quenches Ion Migration at Metal Halide Perovskite Grain Boundaries: A Machine Learning Molecular Dynamics Study
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-12-01
err0
PREAI
errSamatov, Mikhail R.; Liu, Dongyu; Amirov, Emir S.; Bubnova, Maria A.; Abrameshin, Andrey E.; Kramarenko, Alexander S.; Troshin, Pavel A.; Chu, Weibin; Zhou, Huanping; Prezhdo, Oleg V.; Vasenko, Andrey S.
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Dual-Defect Donor-Acceptor Pairing in Metal Oxide Semiconductors for Enhanced CO2 Photoreduction
errNANO LETTERS
IF9.1
err2025-11-01
err0
PREAI
errLi, Qiang; Lu, Caiwen; Karin, Jonathan D.; Zhang, Yehui; Ling, Chongyi; Zhang, Xiuyun; Zhou, Zhaobo; Wang, Jinlan; Prezhdo, Oleg V.
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Research Directions

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