Leaderboards/Chemical and Physical Properties of Materials

Chemical and Physical Properties of Materials

Last updated July 7, 2026

Rising Stars

New and hot

Rising Stars Researchers

1
Sergio C. de la Barrera
University of Toronto
2
Kelin He
Zhejiang Chinese Medical University
3
Alisa R. Bogdanova
Aalto University
4
Nguyen Mau Lam
Hanoi Pedagogical University 2
5
Yuepeng Yang
Guizhou University
6
Md. Jasim Uddin
Bangladesh Council of Scientific and Industrial Research
7
Anna Archetti
University of Padua
8
Qianru Wu
Qingdao University of Science and Technology
9
Andrew Martin
North Carolina State University
10
C. H. Lin
Stanford University

Rising Stars Papers

1
Adsorption Properties of Dissolved Gas Molecules in Transformer Oil on the ReSe<sub>2</sub> Monolayer: A DFT Study
Langmuir|2024
46 cit.
2
Morphostructural studies of pure and mixed metal oxide nanoparticles of Cu with Ni and Zn
Heliyon|2024
46 cit.
3
Electrified thermochemical reaction systems with high-frequency metamaterial reactors
Joule|2024
17 cit.
4
Predicting Emergence of Nanoscale Order in Surface Oxides through Preferential Interactivity Parameter
ACS Nano|2024
13 cit.
5
Selective growth of (5, 4) single-walled carbon nanotubes
Science Bulletin|2025
8 cit.
6
Atomic Reconstruction of Au Thin Films through Interfacial Strains
Nano Letters|2024
7 cit.
7
Binder-free LiNi0.8Mn0.1Co0.1O2 electrode enabled by single-walled carbon nanotube coating for Li-ion batteries
Journal of Energy Storage|2024
4 cit.
8
One-pot synthesis of an ultrafine Cu<sub>2</sub>O nanocrystal/porous polymer heterostructure for photocatalytic hydrogen production
Catalysis Science & Technology|2024
3 cit.
9
Growing single-walled carbon nanotubes from alumina sheet supported catalyst and investigating carrier effects on chirality distribution
Carbon|2025
3 cit.
10
Tuning the properties of LiNi0.8Mn0.1Co0.1O2 via atomic layer deposition using different synthetic stages
Journal of Energy Chemistry|2025
3 cit.

Emerging Leaders

Gaining momentum

Emerging Leaders Researchers

1
Jennifer Jackson
University of Warwick
2
Gholamali Nadri
Lorestan University
3
Yang‐Gang Wang
Southern University of Science and Technology
4
Masahiro Tahashi
Chubu University
5
Spirit Tlali
National University of Lesotho
6
Rodrigo Esparza
Universidad Nacional Autónoma de México
7
Juan Pedro Palomares-Báez
Autonomous University of Chihuahua
8
Sarika Srivastava
University of Alabama at Birmingham
9
Wallaă A. Noori
University of Technology - Iraq
10
Adnan A. AbdulRazak
University of Technology - Iraq

Emerging Leaders Papers

1
Pseudo-adsorption and long-range redox coupling during oxygen reduction reaction on single atom electrocatalyst
Nature Communications|2022
140 cit.
2
Potential-Dependent Free Energy Relationship in Interpreting the Electrochemical Performance of CO <sub>2</sub> Reduction on Single Atom Catalysts
ACS Catalysis|2022
115 cit.
3
Engineering Single-Atom Electrocatalysts for Enhancing Kinetics of Acidic Volmer Reaction
Journal of the American Chemical Society|2023
92 cit.
4
Modeling Interfacial Dynamics on Single Atom Electrocatalysts: Explicit Solvation and Potential Dependence
Accounts of Chemical Research|2024
59 cit.
5
Modeling the Potential-Dependent Kinetics of CO<sub>2</sub> Electroreduction on Single-Nickel Atom Catalysts with Explicit Solvation
ACS Catalysis|2022
57 cit.
6
Revealing the Potential-Dependent Rate-Determining Step of Oxygen Reduction Reaction on Single-Atom Catalysts
Journal of the American Chemical Society|2025
53 cit.
7
Potential Dependence and Substituent Effect in CO<sub>2</sub> Electroreduction on a Cobalt Phthalocyanine Catalyst
ACS Catalysis|2024
48 cit.
8
Mechanistic exploration of furfural hydrogenation on copper surface in aqueous phase by DFT and AIMD simulations
Journal of Catalysis|2022
46 cit.
9
Diffusion and Surface Segregation of Interstitial Ti Defects Induced by Electronic Metal–Support Interactions on a Au/TiO<sub>2</sub> Nanocatalyst
ACS Catalysis|2022
41 cit.
10
Coverage-Induced Cation Dehydration and Migration for Enhanced CO–CO Coupling on Cu Electrocatalysts
ACS Catalysis|2024
40 cit.

Current Senior Leaders

Established & currently active

Current Senior Leaders Researchers

1
Carlos Fiolhais
Tulane University
2
M. C. Payne
University of Cambridge
3
M. I. Baskes
Los Alamos National Laboratory
4
Jens K. Nørskov
Technical University of Denmark
5
Matthias Scheffler
Fritz Haber Institute of the Max Planck Society
6
Michael R. Hoffmann
California Institute of Technology
7
D. Ugarte
Universidade Estadual de Campinas (UNICAMP)
8
Evert Jan Baerends
Vrije Universiteit Amsterdam
9
Udo Weimar
University of Tübingen
10
Gábor A. Somorjai
University of California System

Current Senior Leaders Papers

1
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
Physical review. B, Condensed matter|1992
22k cit.
2
First principles methods using CASTEP
Zeitschrift für Kristallographie - Crystalline Materials|2005
14.4k cit.
3
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
The Journal of Physical Chemistry B|2004
12.7k cit.
4
First-principles simulation: ideas, illustrations and the CASTEP code
Journal of Physics Condensed Matter|2002
11.8k cit.
5
Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients
Reviews of Modern Physics|1992
9.6k cit.
6
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
Physical review. B, Condensed matter|1999
8.2k cit.
7
Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals
Physical review. B, Condensed matter|1984
7.2k cit.
8
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
Physical Review Letters|2009
6.3k cit.
9
Trends in the Exchange Current for Hydrogen Evolution
Journal of The Electrochemical Society|2005
5.9k cit.
10
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution
Nature Materials|2006
4.1k cit.

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