World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
99
Citations
30737
World Ranking
1359
National Ranking
245

Overview

What is he best known for?

The fields of study he is best known for:

  • Catalysis
  • Organic chemistry
  • Oxygen

His primary areas of investigation include Catalysis, Density functional theory, Inorganic chemistry, Heterogeneous catalysis and Dissociation. His studies deal with areas such as Photochemistry, Metal and Physical chemistry as well as Catalysis. His Density functional theory study incorporates themes from Ab initio, Adsorption, Chemisorption and Transition metal.

His Inorganic chemistry research is multidisciplinary, incorporating perspectives in Selectivity, Fischer–Tropsch process, Hydrogen and Nickel. His biological study spans a wide range of topics, including Chemical kinetics and Elementary reaction. His studies examine the connections between Dissociation and genetics, as well as such issues in Thermodynamics, with regards to Desorption, Ammonia production and Organic chemistry.

His most cited work include:

  • CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study (486 citations)
  • Catalytic Role of Gold in Gold-Based Catalysts: A Density Functional Theory Study on the CO Oxidation on Gold (416 citations)
  • Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study (395 citations)

What are the main themes of his work throughout his whole career to date?

Peijun Hu mainly focuses on Catalysis, Density functional theory, Adsorption, Inorganic chemistry and Heterogeneous catalysis. The Catalysis study combines topics in areas such as Photochemistry, Metal and Physical chemistry. His studies in Density functional theory integrate themes in fields like Chemical physics, Dissociation, Transition state and Chemisorption.

His study looks at the intersection of Adsorption and topics like Crystallography with Bond length. Peijun Hu combines subjects such as Photocatalysis, Hydrogen, Platinum, Carbon monoxide and Oxygen with his study of Inorganic chemistry. His study in Heterogeneous catalysis is interdisciplinary in nature, drawing from both Nanoparticle, Nanotechnology and Reaction rate.

He most often published in these fields:

  • Catalysis (79.61%)
  • Density functional theory (53.91%)
  • Adsorption (39.94%)

What were the highlights of his more recent work (between 2018-2021)?

  • Catalysis (79.61%)
  • Heterogeneous catalysis (26.82%)
  • Density functional theory (53.91%)

In recent papers he was focusing on the following fields of study:

Peijun Hu focuses on Catalysis, Heterogeneous catalysis, Density functional theory, Adsorption and Metal. His Catalysis research includes elements of Photochemistry and Computational chemistry. His research integrates issues of Yield, Oxide, Molecule and Dissociation in his study of Heterogeneous catalysis.

His work in Density functional theory covers topics such as van der Waals force which are related to areas like Hybrid functional and Anaerobic oxidation of methane. The concepts of his Adsorption study are interwoven with issues in Chemical physics, Platinum, Work and Rational design. While the research belongs to areas of Metal, Peijun Hu spends his time largely on the problem of Methane, intersecting his research to questions surrounding Rutile, Combustion, Catalytic cycle and Catalytic combustion.

Between 2018 and 2021, his most popular works were:

  • Iridium single-atom catalyst on nitrogen-doped carbon for formic acid oxidation synthesized using a general host-guest strategy. (46 citations)
  • Iridium single-atom catalyst on nitrogen-doped carbon for formic acid oxidation synthesized using a general host-guest strategy. (46 citations)
  • Synergy of Single-Atom Ni1 and Ru1 Sites on CeO2 for Dry Reforming of CH4. (41 citations)

In his most recent research, the most cited papers focused on:

  • Catalysis
  • Organic chemistry
  • Oxygen

Peijun Hu spends much of his time researching Catalysis, Density functional theory, Metal, Water-gas shift reaction and Selectivity. His work deals with themes such as Crystallography, Atom and Photochemistry, which intersect with Catalysis. His research in Density functional theory intersects with topics in Transition state, Thermodynamics and Reaction mechanism.

His work in Reaction mechanism tackles topics such as Adsorption which are related to areas like Work. Peijun Hu interconnects Oxide and Methane in the investigation of issues within Metal. His Selectivity research is multidisciplinary, incorporating elements of Carbon dioxide, C c coupling, Computational chemistry and Partial pressure.

Best Publications

  • CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study

    Ali Alavi;Peijun Hu;Thierry Deutsch;Pier Luigi Silvestrelli

  • General Rules for Predicting Where a Catalytic Reaction Should Occur on Metal Surfaces: A Density Functional Theory Study of C−H and C−O Bond Breaking/Making on Flat, Stepped, and Kinked Metal Surfaces

    Zhi-Pan Liu;P Hu

  • Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces.

    Angelos Michaelides;Z.-P. Liu;C. J. Zhang;Ali Alavi

  • Iridium single-atom catalyst on nitrogen-doped carbon for formic acid oxidation synthesized using a general host-guest strategy.

    Zhi Li;Yuanjun Chen;Shufang Ji;Yan Tang

  • Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study

    Liang Yu;Xiulian Pan;Xiaoming Cao;P. Hu

  • Catalytic Role of Gold in Gold-Based Catalysts: A Density Functional Theory Study on the CO Oxidation on Gold

    Z.P. Liu;Peijun Hu;A. Alavi

  • 2D Monolayer MoS2–Carbon Interoverlapped Superstructure: Engineering Ideal Atomic Interface for Lithium Ion Storage

    Hao Jiang;Dayong Ren;Haifeng Wang;Yanjie Hu

  • Phosphorus-Mo2C@carbon nanowires toward efficient electrochemical hydrogen evolution: composition, structural and electronic regulation

    Zhangping Shi;Kaiqi Nie;Zheng Jiang Shao;Boxu Gao

  • Rational screening low-cost counter electrodes for dye-sensitized solar cells

    Yu Hou;Dong Wang;Xiao Hua Yang;Wen Qi Fang

  • Catalytic role of metal oxides in gold-based catalysts: a first principles study of CO oxidation on TiO2 supported Au.

    Zhi-Pan Liu;Xue-Qing Gong;Jorge Kohanoff;Cristián Sanchez

  • Catalytic water formation on platinum: a first-principles study.

    A Michaelides;P Hu

  • Synergy of Single-Atom Ni1 and Ru1 Sites on CeO2 for Dry Reforming of CH4.

    Yu Tang;Yu Tang;Yuechang Wei;Ziyun Wang;Shiran Zhang

  • Multiple configurations of the two excess 4f electrons on defective CeO2(111): Origin and implications

    Hui-Ying Li;Hai-Feng Wang;Xue-Qing Gong;Yang-Long Guo

  • Local atomic structure modulations activate metal oxide as electrocatalyst for hydrogen evolution in acidic water.

    Yu Hang Li;Peng Fei Liu;Lin Feng Pan;Hai Feng Wang

  • A robust fuel cell operated on nearly dry methane at 500 °C enabled by synergistic thermal catalysis and electrocatalysis

    Yu Chen;Ben deGlee;Yu Tang;Ziyun Wang

  • Identifying the key obstacle in photocatalytic oxygen evolution on rutile TiO2

    Dong Wang;Tian Sheng;Jianfu Chen;Hai-Feng Wang

  • Understanding complete oxidation of methane on spinel oxides at a molecular level.

    Franklin Feng Tao;Jun Jun Shan;Luan Nguyen;Ziyun Wang

  • Promoting Effects of In2O3 on Co3O4 for CO Oxidation: Tuning O2 Activation and CO Adsorption Strength Simultaneously

    Yang Lou;Jian Ma;Xiaoming Cao;Li Wang

  • Activity and coke formation of nickel and nickel carbide in dry reforming: A deactivation scheme from density functional theory

    Ziyun Wang;X.-M. Cao;Jinghao Zhu;P. Hu

  • A systematic study of CO oxidation on metals and metal oxides: density functional theory calculations.

    Xue-Qing Gong;Zhi-Pan Liu;Rasmita Raval;P. Hu

  • Influence of surface structures, subsurface carbon and hydrogen, and surface alloying on the activity and selectivity of acetylene hydrogenation on Pd surfaces: A density functional theory study

    Bo Yang;Robbie Burch;Christopher Hardacre;Gareth Headdock

  • Identifying an O-2 supply pathway in CO oxidation on Au/TiO2(110): A density functional theory study on the intrinsic role of water

    L.M. Liu;B. McAllister;H.Q. Ye;Peijun Hu

Frequent Co-Authors

Christopher Hardacre
Christopher Hardacre University of Manchester
Robbie Burch
Robbie Burch Queen's University Belfast
Guanzhong Lu
Guanzhong Lu East China University of Science and Technology
Hua Gui Yang
Hua Gui Yang East China University of Science and Technology
Xue-Qing Gong
Xue-Qing Gong East China University of Science and Technology
Yanglong Guo
Yanglong Guo East China University of Science and Technology
Angelos Michaelides
Angelos Michaelides University of Cambridge
Zhi-Pan Liu
Zhi-Pan Liu Fudan University
Jun Cheng
Jun Cheng Xiamen University
Huijun Zhao
Huijun Zhao Griffith University

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