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Overview

Best Publications

• Unravelling the Effects of Grain Boundary and Chemical Doping on Electron-Hole Recombination in CH3NH3PbI3 Perovskite by Time-Domain Atomistic Simulation.

  Run Long;Run Long;Jin Liu;Oleg V. Prezhdo

  393
  Citations

• Reduced-dimensional perovskite photovoltaics with homogeneous energy landscape.

  Tingwei He;Saisai Li;Yuanzhi Jiang;Chaochao Qin

  327
  Citations

• Ultrafast carrier thermalization and cooling dynamics in few-layer MoS2

  Zhaogang Nie;Run Long;Run Long;Linfeng Sun;Chung-Che Huang

  320
  Citations

• Rationalization of passivation strategies toward high-performance perovskite solar cells.

  Unknown

  311
  Citations

• High-performance large-area quasi-2D perovskite light-emitting diodes.

  Changjiu Sun;Yuanzhi Jiang;Minghuan Cui;Lu Qiao

  308
  Citations

• A‑site Cation Engineering for Highly Efficient MAPbI 3 Single‑Crystal X‑ray Detector

  Yanmin Huang;Lu Qiao;Yuanzhi Jiang;Tingwei He

  296
  Citations

• Quantum Coherence Facilitates Efficient Charge Separation at a MoS2/MoSe2 van der Waals Junction.

  Run Long;Oleg V. Prezhdo

  280
  Citations

• Instantaneous generation of charge-separated state on TiO₂ surface sensitized with plasmonic nanoparticles.

  Run Long;Oleg V Prezhdo

  264
  Citations

• Photo-induced charge separation across the graphene-TiO2 interface is faster than energy losses: a time-domain ab initio analysis.

  Run Long;Run Long;Niall J. English;Oleg V. Prezhdo

  249
  Citations

• Marked Passivation Effect of Naphthalene-1,8-Dicarboximides in High-Performance Perovskite Solar Cells

  Zhihao Zhang;Yifeng Gao;Zicheng Li;Lu Qiao

  208
  Citations

• Donor-Acceptor Interaction Determines the Mechanism of Photoinduced Electron Injection from Graphene Quantum Dots into TiO2: π-Stacking Supersedes Covalent Bonding.

  Run Long;David Casanova;David Casanova;Wei-Hai Fang;Oleg V. Prezhdo

  191
  Citations

• Sulfur Adatom and Vacancy Accelerate Charge Recombination in MoS2, but by Different Mechanisms: Time-Domain Ab Initio Analysis

  Linqiu Li;Run Long;Thomas Bertolini;Oleg V. Prezhdo

  182
  Citations

• Efficient and Stable Inverted Perovskite Solar Cells Incorporating Secondary Amines.

  Hao Chen;Hao Chen;Qi Wei;Makhsud I. Saidaminov;Fei Wang

  177
  Citations

• Rapid Decoherence Suppresses Charge Recombination in Multi-Layer 2D Halide Perovskites: Time-Domain Ab Initio Analysis.

  Zhaosheng Zhang;Wei-Hai Fang;Marina V. Tokina;Run Long

  167
  Citations

• Synergistic Effects on Band Gap-Narrowing in Titania by Codoping from First-Principles Calculations

  Run Long;Niall J. English

  166
  Citations

• Control of Charge Carriers Trapping and Relaxation in Hematite by Oxygen Vacancy Charge: Ab Initio Non-adiabatic Molecular Dynamics

  Zhaohui Zhou;Jin Liu;Run Long;Linqiu Li

  160
  Citations

• Superoxide/Peroxide Chemistry Extends Charge Carriers' Lifetime but Undermines Chemical Stability of CH3NH3PbI3 Exposed to Oxygen: Time-Domain ab Initio Analysis.

  Jinlu He;Wei-Hai Fang;Run Long;Oleg V Prezhdo

  157
  Citations

• Moderate Humidity Delays Electron-Hole Recombination in Hybrid Organic-Inorganic Perovskites: Time-Domain Ab Initio Simulations Rationalize Experiments.

  Run Long;Run Long;Weihai Fang;Oleg. V. Prezhdo

  155
  Citations

• Time-Domain Ab Initio Modeling of Photoinduced Dynamics at Nanoscale Interfaces

  Linjun Wang;Run Long;Oleg V. Prezhdo

  153
  Citations

• Doping‑Induced Amorphization, Vacancy, and Gradient Energy Band in SnS 2 Nanosheet Arrays for Improved Photoelectrochemical Water Splitting

  Linxing Meng;Siyu Wang;Fengren Cao;Wei Tian

  146
  Citations

• Ab Initio Nonadiabatic Molecular Dynamics of the Ultrafast Electron Injection from a PbSe Quantum Dot into the TiO2 Surface

  Run Long;Oleg V. Prezhdo

  143
  Citations