Leaderboards/Molecular Junctions and Nanostructures

Molecular Junctions and Nanostructures

Last updated July 15, 2026

Rising Stars

Fresh ink, massive impact

Researchers

1
Shitao Guan
Institute of Macromolecular Chemistry
2
Kerui Liu
Chinese Academy of Sciences
3
Stefen Stangherlin
University of Waterloo
4
Yong Zhang
Nankai University
5
Reihaneh Amirbeigiarab
Hochschule für Angewandte Wissenschaften Kiel
6
Yuying Dang
Lanzhou Institute of Chemical Physics
7
Zilin Ruan
Philipps University of Marburg
8
Bing Zhu
Nanyang Technological University
9
Benjamín Mallada
Regional Centre of Advanced Technologies and Materials
10
Xueliang Yu
The University of Texas Southwestern Medical Center

Papers

1
Self‐Assembled Interlayer Enables High‐Performance Organic Photovoltaics with Power Conversion Efficiency Exceeding 20%
Advanced Materials|2024
605 cit.
2
19.7% efficiency binary organic solar cells achieved by selective core fluorination of nonfullerene electron acceptors
Joule|2024
301 cit.
3
Publication in TrAC Trends in Analytical Chemistry (2025) [118 citations, W4411474706]
TrAC Trends in Analytical Chemistry|2025
118 cit.
4
Publication in Nature Communications (2025) [108 citations, W4407926590]
Nature Communications|2025
108 cit.
5
Fine-tuning the hierarchical morphology of multi-component organic photovoltaics <i>via</i> a dual-additive strategy for 20.5% efficiency
Energy & Environmental Science|2024
103 cit.
6
Publication in Angewandte Chemie International Edition (2024) [97 citations, W4392619662]
Angewandte Chemie International Edition|2024
97 cit.
7
Publication in Advanced Materials (2025) [85 citations, W4407260438]
Advanced Materials|2025
85 cit.
8
Quinoxaline-based nonfullerene acceptors with powerful core-functionalization ability enabling efficient solar energy utilization
Energy & Environmental Science|2024
42 cit.
9
The Critical Isomerization Effect of Core Bromination on Nonfullerene Acceptors in Achieving High‐Performance Organic Solar Cells with Low Energy Loss
Advanced Materials|2024
39 cit.
10
Synthesis of Tridecacene by Multistep Single-Molecule Manipulation
Journal of the American Chemical Society|2024
31 cit.

Emerging Leaders

Drafting the new consensus

Researchers

1
Toshiaki Ikuta
Unknown
2
Chuancheng Jia
Nankai University
3
Agostino Migliore
University of Padua
4
Na Xin
Zhejiang University
5
Jiye Lee
University of Illinois Urbana-Champaign
6
Lijian Zuo
Zhejiang University of Science and Technology
7
Kristofer Tvingstedt
University of Würzburg
8
Xiaoyuan Li
City University of Macau
9
Rajeev Ramanan
National Institute of Technology Rourkela
10
Thijs Stuyver
Vrije Universiteit Brussel

Papers

1
Quantum chemistry-augmented neural networks for reactivity prediction: Performance, generalizability, and explainability
The Journal of Chemical Physics|2022
99 cit.
2
Giant magnetoresistance of Dirac plasma in high-mobility graphene
Nature|2023
76 cit.
3
On the role of asymmetric molecular geometry in high-performance organic solar cells
Nature Communications|2024
63 cit.
4
Ion Migration and Accumulation in Halide Perovskite Solar Cells<sup>†</sup>
Chinese Journal of Chemistry|2022
58 cit.
5
Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactions
Scientific Data|2023
48 cit.
6
Machine Learning‐Guided Computational Screening of New Candidate Reactions with High Bioorthogonal Click Potential
Chemistry - A European Journal|2023
37 cit.
7
Synergistically optimizing the optoelectronic properties and morphology using a photo-active solid additive for high-performance binary organic photovoltaics
Energy & Environmental Science|2024
32 cit.
8
Understanding the Nonradiative Charge Recombination in Organic Photovoltaics: From Molecule to Device
Advanced Functional Materials|2024
31 cit.
9
Transnational Higher Education in China: Policies, Practices, and Development in a (Post-)Pandemic Era
Higher Education Policy|2023
30 cit.
10
Decoding the Role of Molecular Orientation in Conjugated Self‐Assembled Monolayers for High‐Performance Binary Organic Photovoltaics Approaching 20% Efficiency
Advanced Materials|2025
28 cit.

Current Senior Leaders

Wrote the book, still writing it

Researchers

1
George M. Whitesides
Harvard University
2
James M. Tour
GeoEngineers (United States)
3
Charles M. Lieber
Harvard University
4
Matthias Ernzerhof
Université du Québec à Montréal
5
Kläus Müllen
VSB - Technical University of Ostrava
6
Royce W. Murray
University of North Carolina at Chapel Hill
7
Hannes Jónsson
University of Iceland
8
Jens K. Nørskov
Technical University of Denmark
9
Phillip B. Messersmith
Lawrence Berkeley National Laboratory
10
Hongjie Dai
Xiangtan University

Papers

1
Generalized Gradient Approximation Made Simple
Physical Review Letters|1996
211.5k cit.
2
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
The Journal of Chemical Physics|2000
21.2k cit.
3
Hybrid functionals based on a screened Coulomb potential
The Journal of Chemical Physics|2003
19.2k cit.
4
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
Physical Review Letters|1997
14.4k cit.
5
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
The Journal of Physical Chemistry B|2004
12.7k cit.
6
Improved Synthesis of Graphene Oxide
ACS Nano|2010
11.8k cit.
7
Mussel-Inspired Surface Chemistry for Multifunctional Coatings
Science|2007
10.7k cit.
8
A fast and robust algorithm for Bader decomposition of charge density
Computational Materials Science|2005
10.4k cit.
9
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
The Journal of Chemical Physics|2000
9.4k cit.
10
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
Physical review. B, Condensed matter|1999
8.2k cit.

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