Qinghai Cai

ORCID: 0000-0002-5315-4105
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About
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Research Areas
  • Catalytic Processes in Materials Science
  • Ionic liquids properties and applications
  • Advanced Photocatalysis Techniques
  • Electrocatalysts for Energy Conversion
  • CO2 Reduction Techniques and Catalysts
  • Catalysis and Oxidation Reactions
  • Ammonia Synthesis and Nitrogen Reduction
  • Chemical Synthesis and Reactions
  • Oxidative Organic Chemistry Reactions
  • Carbon dioxide utilization in catalysis
  • Mesoporous Materials and Catalysis
  • Nanomaterials for catalytic reactions
  • Graphene research and applications
  • Polyoxometalates: Synthesis and Applications
  • Fuel Cells and Related Materials
  • MXene and MAX Phase Materials
  • Metal-Organic Frameworks: Synthesis and Applications
  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Zeolite Catalysis and Synthesis
  • Boron and Carbon Nanomaterials Research
  • Electrochemical Analysis and Applications
  • Gas Sensing Nanomaterials and Sensors
  • Carbon Nanotubes in Composites
  • Advancements in Battery Materials

Guangdong University of Foreign Studies
2025

Harbin Normal University
2015-2024

Harbin University
1993-2020

Education Department of Heilongjiang Province
2018

Ministry of Education of the People's Republic of China
2013

Institute of Theoretical Physics
2010

Jilin University
2010

East China Normal University
2004-2008

By introducing B coordination, the catalytic performance of Fe-N<sub>4</sub>/G can be greatly enhanced.

10.1039/d0ta09496j article EN Journal of Materials Chemistry A 2020-12-10

Mo-embedded MoS<sub>2</sub> nanosheet can be employed as a NRR electrocatalyst with high-efficiency.

10.1039/c7cp08626a article EN Physical Chemistry Chemical Physics 2018-01-01

By means of comprehensive density functional theory computations, the FeRh dimer embedded in N-doped graphene was screened as a quite promising electrocatalyst with dual-atom centered sites for ammonia synthesis from N<sub>2</sub> fixation.

10.1039/c9ta13599e article EN Journal of Materials Chemistry A 2020-01-01

Single transition metal atoms supported by porpyrin-like graphene exhibit high catalytic activity for the electroreduction of CO<sub>2</sub>.

10.1039/c7cp04299j article EN Physical Chemistry Chemical Physics 2017-01-01

Pyrrolic-nitrogen doped graphene: a promising and metal-free electrocatalyst with high efficiency for CO<sub>2</sub> reduction to formic acid.

10.1039/c5cp07458d article EN Physical Chemistry Chemical Physics 2016-01-01

By means of DFT computations we have proposed that Cu-doped MoS<sub>2</sub> monolayer is a promising single-atom-catalyst with high efficiency for the ORR.

10.1039/c7ta00577f article EN Journal of Materials Chemistry A 2017-01-01

By combining theoretical and experimental efforts, we designed the MoP-(101) surface explored its potential as catalyst for urea production.

10.1039/d2ta07531h article EN Journal of Materials Chemistry A 2022-11-17

Abstract Adsorption has been proven to be the most efficient method for quickly lowering concentration of dissolved dyes in an effluent. In this regard, activated carbon is widely used adsorbent removal from aqueous solution. However, high cost production and regeneration make it uneconomical. Therefore, inorganic adsorbents (e.g. zeolites) with surface areas have as alternatives adsorbents. Microporous zeolites ZSM‐5, NH 4 ‐Beta, MCM‐22 mesoporous materials MCM‐41 investigated solutions...

10.1002/jctb.2559 article EN Journal of Chemical Technology & Biotechnology 2010-12-24

Density functional theory (DFT) calculations were performed on the NO reduction silicon (Si)-doped graphene. The results showed that monomeric dissociation is subject to a high barrier and large endothermicity thus unlikely occur. In contrast, it was found can easily be converted into N2O through dimer mechanism. this process, two-step mechanism identified: (i) coupling of two molecules (NO)2 dimer, followed by (ii) + Oad. energetically most favorable pathway, trans-(NO)2 shown necessary...

10.1021/am400563g article EN ACS Applied Materials & Interfaces 2013-06-12

Developing excellent performance catalysts for the oxygen reduction reaction (ORR) and evolution (OER) is fundamental commercialization of energy transduction storage equipment. In our works, potential plenty transition metals (TMs) anchored on phthalocyanine (TM-Pc) (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Mo, Ru, Rh, Pd, Ag, Re, Os, Ir, Pt) as electrocatalysts ORR/OER was systematically explored through synthetic density functional theory (DFT) computations. These TM-Pc candidates...

10.1016/j.chphma.2022.04.002 article EN cc-by-nc-nd ChemPhysMater 2022-04-23

β-PdBi 2 was proposed as a novel NORR catalyst for NH 3 synthesis with high efficiency and selectivity, its catalytic activity can be enhanced by tensile strain.

10.1039/d3qi00225j article EN Inorganic Chemistry Frontiers 2023-01-01
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