Computer-Aided Design of High-Performance Photocatalysts for Solar Hydrogen Producion Based on Red Titanium Dioxide

Research output

Research output per year 2014 2015 2016 2017 2018 2019

• 37 Article

Research output per year

Research output per year

Search results

• 2019

  Computational design of single-molybdenum catalysts for the nitrogen reduction reaction

  Li, Q., Qiu, S., Liu, C., Liu, M., He, L., Zhang, X. & Sun, C., 31 Jan 2019, In: Journal of Physical Chemistry C. 123, 4, p. 2347-2352 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  66 Citations (Scopus)

• Conversion of dinitrogen to ammonia on Ru atoms supported on boron sheets: A DFT study

  Liu, C., Li, Q., Zhang, J., Jin, Y., MacFarlane, D. R. & Sun, C., 1 Jan 2019, In: Journal of Materials Chemistry A. 7, 9, p. 4771-4776 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  263 Citations (Scopus)

• Single-Boron Catalysts for Nitrogen Reduction Reaction

  Liu, C., Li, Q., Wu, C., Zhang, J., Jin, Y., Macfarlane, D. R. & Sun, C., 1 Jan 2019, In: Journal of the American Chemical Society. 141, 7, p. 2884-2888 5 p.

  Research output: Contribution to journal › Article › Research › peer-review
  533 Citations (Scopus)

• Ultrathin Α-Mo ₂ C dominated by (100) Surface/Cu Schottky junction as efficient catalyst for hydrogen evolution

  Yin, Y., Xu, C., Liu, Z., Ren, W. & Sun, C., 8 Jan 2019, In: International Journal of Hydrogen Energy. 44, 2, p. 853-859 7 p.

  Research output: Contribution to journal › Article › Research › peer-review
  19 Citations (Scopus)
• 2018

  Impact of H-termination on the nitrogen reduction reaction of molybdenum carbide as an electrochemical catalyst

  Li, Q., Qiu, S., He, L., Zhang, X. & Sun, C., 2018, In: Physical Chemistry Chemical Physics. 20, 36, p. 23338-23343 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  29 Citations (Scopus)

• Theoretical Evaluation of Possible 2D Boron Monolayer in N ₂ Electrochemical Conversion into Ammonia

  Liu, C., Li, Q., Zhang, J., Jin, Y., Macfarlane, D. R. & Sun, C., 8 Nov 2018, In: Journal of Physical Chemistry C. 122, 44, p. 25268-25273 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  104 Citations (Scopus)

• Transition-metal-doped Fe₂O₃ nanoparticles for oxygen evolution reaction

  Yin, Y., Zhang, X. & Sun, C., 1 Aug 2018, In: Progress in Natural Science: Materials International. 28, 4, p. 430-436 7 p.

  Research output: Contribution to journal › Article › Research › peer-review

  Open Access

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  52 Citations (Scopus)

• Two-dimensional boron sheets as metal-free catalysts for hydrogen evolution reaction

  Liu, C., Dai, Z., Zhang, J., Jin, Y., Li, D. & Sun, C., 23 Aug 2018, In: Journal of Physical Chemistry C. 122, 33, p. 19051-19055 5 p.

  Research output: Contribution to journal › Article › Research › peer-review
  77 Citations (Scopus)

• Vertically-heterostructured TiO₂-Ag-rGO ternary nanocomposite constructed with {001} facetted TiO₂ nanosheets for enhanced Pt-free hydrogen production

  Wang, Z., Low, Z. X., Zeng, X., Su, B., Yin, Y., Sun, C., Williams, T., Wang, H. & Zhang, X., 18 Jan 2018, In: International Journal of Hydrogen Energy. 43, 3, p. 1508-1515 8 p.

  Research output: Contribution to journal › Article › Research › peer-review
  30 Citations (Scopus)
• 2017

  Computational investigation of the co-doping effect of sulphur and nitrogen on the electronics of CsTaWO₆

  Liu, L., Li, L., Li, Q. & Sun, C., 1 Mar 2017, In: Journal of Materiomics. 3, 1, p. 71-76 6 p.

  Research output: Contribution to journal › Article › Research › peer-review

  Open Access

  File
  2 Citations (Scopus)

• Computational Study of MoN₂ Monolayer as Electrochemical Catalysts for Nitrogen Reduction

  Li, Q., He, L., Sun, C. & Zhang, X., 14 Dec 2017, In: Journal of Physical Chemistry C. 121, 49, p. 27563-27568 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  173 Citations (Scopus)

• Experimental and Computational Investigation of the Optical, Electronic, and Electrochemical Properties of Hydrogenated α-Fe₂O₃

  Yin, Y., Zhang, X., Li, L., Spiccia, L. & Sun, C., 3 Aug 2017, In: Journal of Physical Chemistry C. 121, 30, p. 16059-16065 7 p.

  Research output: Contribution to journal › Article › Research › peer-review
  11 Citations (Scopus)

• In situ TEM observation of dissolution and regrowth dynamics of MoO₂ nanowires under oxygen

  Yuan, W., Yu, J., Li, H., Zhang, Z., Sun, C. & Wang, Y., 1 Feb 2017, In: Nano Research. 10, 2, p. 397-404 8 p.

  Research output: Contribution to journal › Article › Research › peer-review
  18 Citations (Scopus)

• Understanding of Electrochemical Mechanisms for CO₂ Capture and Conversion into Hydrocarbon Fuels in Transition-Metal Carbides (MXenes)

  Li, N., Chen, X., Ong, W. J., Macfarlane, D. R., Zhao, X., Cheetham, A. K. & Sun, C., 28 Nov 2017, In: ACS Nano. 11, 11, p. 10825-10833 9 p.

  Research output: Contribution to journal › Article › Research › peer-review
  417 Citations (Scopus)
• 2016

  A DFT study of planar: Vs. corrugated graphene-like carbon nitride (g-C₃N₄) and its role in the catalytic performance of CO₂ conversion

  Azofra, L. M., MacFarlane, D. R. & Sun, C., 2016, In: Physical Chemistry Chemical Physics. 18, 27, p. 18507-18514 8 p.

  Research output: Contribution to journal › Article › Research › peer-review
  147 Citations (Scopus)

• An intensified π-hole in beryllium-doped boron nitride meshes: its determinant role in CO₂ conversion into hydrocarbon fuels

  Azofra, L. M., Macfarlane, D. & Sun, C., 28 Feb 2016, In: Chemical Communications. 52, 17, p. 3548-3551 4 p.

  Research output: Contribution to journal › Article › Research › peer-review
  24 Citations (Scopus)

• Atomic-scale observation of vapor-solid nanowire growth via oscillatory mass transport

  Zhang, Z., Wang, Y., Li, H., Yuan, W., Zhang, X., Sun, C. & Zhang, Z., 26 Jan 2016, In: ACS Nano. 10, 1, p. 763-769 7 p.

  Research output: Contribution to journal › Article › Research › peer-review
  43 Citations (Scopus)

• In situ observation of hydrogen-induced surface faceting for palladium–copper nanocrystals at atmospheric pressure

  Jiang, Y., Li, H., Wu, Z., Ye, W., Zhang, H., Wang, Y., Sun, C. & Zhang, Z., 2016, In: Angewandte Chemie - International Edition. 55, 40, p. 12427-12430 4 p.

  Research output: Contribution to journal › Article › Research › peer-review
  81 Citations (Scopus)

• Long lifetime photoluminescence in N, S co-doped carbon quantum dots from an ionic liquid and their applications in ultrasensitive detection of pesticides

  Li, H., Sun, C., Vijayaraghavan, R., Zhou, F., Zhang, X. & MacFarlane, D. R., 1 Aug 2016, In: Carbon. 104, p. 33-39 7 p.

  Research output: Contribution to journal › Article › Research › peer-review

  Open Access

  File
  127 Citations (Scopus)

• Mechanistic studies of the photo-electrochemical hydrogen evolution reaction on poly(2,2′-bithiophene)

  Ng, C. H., Ohlin, C. A., Qiu, S., Sun, C. & Winther-Jensen, B., 2016, In: Catalysis Science & Technology. 6, 9, p. 3253-3262 10 p.

  Research output: Contribution to journal › Article › Research › peer-review
  13 Citations (Scopus)

• Metal link: A strategy to combine graphene and titanium dioxide for enhanced hydrogen production

  Wang, Z., Yin, Y., Williams, T., Wang, H., Sun, C. & Zhang, X., 21 Dec 2016, In: International Journal of Hydrogen Energy. 41, 47, p. 22034-22042 9 p.

  Research output: Contribution to journal › Article › Research › peer-review
  21 Citations (Scopus)

• Proposing the prospects of Ti₃CN transition metal carbides (MXenes) as anodes of Li-ion batteries: a DFT study

  Chen, X., Kong, Z., Li, N., Zhao, X. & Sun, C., 2016, In: Physical Chemistry Chemical Physics. 18, 48, p. 32937-32943 7 p.

  Research output: Contribution to journal › Article › Research › peer-review
  118 Citations (Scopus)

• The migration behavior of sulfur impurity contained in the dual-phase membrane of Ce_0.9Gd_0.1O_2-δ-SrCo_0.8Fe_0.1Nb_0.1O_3-δ under CO₂ atmosphere

  Wu, C., Zhou, J., Tang, X., Luo, W., Zhang, Y., Ding, W. & Sun, C., 1 Aug 2016, In: Journal of Membrane Science. 511, p. 162-169 8 p.

  Research output: Contribution to journal › Article › Research › peer-review
  8 Citations (Scopus)

• Unraveling the Role of Ligands in the Hydrogen Evolution Mechanism Catalyzed by [NiFe] Hydrogenases

  Qiu, S., Azofra Mesa, L., MacFarlane, D. R. & Sun, C., 5 Aug 2016, In: ACS Catalysis. 6, 8, p. 5541-5548 8 p.

  Research output: Contribution to journal › Article › Research › peer-review
  22 Citations (Scopus)
• 2015

  A study on the degradation and recovery mechanisms of perovskite Ba1.0Co0.7Fe0.2Nb0.1O3-delta membrane under Co2-containing atmosphere

  Zhou, J., Tang, X., Wu, C., Wang, H., Zhang, Y., Ding, W., Jin, Y. & Sun, C., 2015, In: Journal of Physical Chemistry C. 119, 43, p. 24229-24237 9 p.

  Research output: Contribution to journal › Article › Research › peer-review
  6 Citations (Scopus)

• Carbon for the oxygen reduction reaction: a defect mechanism

  Zhao, H., Sun, C., Jin, Z., Wang, D-W., Yan, X., Chen, Z-G., Zhu, G. & Yao, X., 2015, In: Journal of Materials Chemistry A. 3, 22, p. 11736-11739 4 p.

  Research output: Contribution to journal › Article › Research › peer-review
  274 Citations (Scopus)

• Combination of nanosizing and interfacial effect: future perspective for designing Mg-based nanomaterials for hydrogen storage

  Jia, Y., Sun, C., Shen, S., Zou, J., Mao, S. S. & Yao, X., 2015, In: Renewable and Sustainable Energy Reviews. 44, p. 289-303 15 p.

  Research output: Contribution to journal › Article › Research › peer-review
  199 Citations (Scopus)

• Enhanced hydrogen desorption properties of magnesium hydride by coupling non-metal doping and nano-confinement

  He, D., Wang, Y., Wu, C., Li, Q., Ding, W. & Sun, C., 2015, In: Applied Physics Letters. 107, 24, p. 1-5 5 p., 243907.

  Research output: Contribution to journal › Article › Research › peer-review
  45 Citations (Scopus)

• Experimental and theoretical study of the oxidation of ventilation air methane over Fe2O3 and CuO

  Jin, Y., Sun, C. & Su, S., 2015, In: Physical Chemistry Chemical Physics. 17, 25, p. 16277-16284 8 p.

  Research output: Contribution to journal › Article › Research › peer-review
  26 Citations (Scopus)

• Metallic Ni nanocatalyst in situ formed from a metal-organic-framework by mechanochemical reaction for hydrogen storage in magnesium

  Jia, Y., Sun, C., Peng, Y., Fang, W-Q., Yan, X., Yang, D., Zou, J., Mao, S. S. & Yao, X., 2015, In: Journal of Materials Chemistry A. 3, 16, p. 8294-8299 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  74 Citations (Scopus)

• Oxygen permeability and CO2-tolerance of Ce0.9Gd0.1O2-delta - SrCo0.8Fe0.1Nb0.1O3-delta dual-phase membrane

  Zhou, J., Tang, X., He, D., Wu, C., Zhang, Y., Ding, W., Jin, Y. & Sun, C., 2015, In: Journal of Alloys and Compounds. 646, p. 204-210 7 p.

  Research output: Contribution to journal › Article › Research › peer-review
  23 Citations (Scopus)

• Structural stability and oxygen permeability of BaCo1-xNbxO3-delta ceramic membranes for air separation

  Wu, C., Gai, Y., Zhou, J., Tang, X., Zhang, Y., Ding, W. & Sun, C., 2015, In: Journal of Alloys and Compounds. 638, p. 38-43 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  12 Citations (Scopus)

• Understanding the influence of lattice composition on the photocatalytic activity of defect-pyrochlore-structured semiconductor mixed oxides

  Schwertmann, L., Grunert, A., Pougin, A., Sun, C., Wark, M. & Marschall, R., 2015, In: Advanced Functional Materials. 25, 6, p. 905-912 8 p.

  Research output: Contribution to journal › Article › Research › peer-review
  29 Citations (Scopus)
• 2014

  Blue hydrogenated lithium titanate as a high-rate anode material for lithium-ion batteries

  Qiu, J., Lai, C., Gray, E. M., Li, S., Qiu, S., Strounina, E., Sun, C., Zhao, H. & Zhang, S., 2014, In: Journal of Materials Chemistry A. 2, 18, p. 6353 - 6358 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  59 Citations (Scopus)

• Comparison of the effect of hydrogen incorporation and oxygen vacancies on the properties of anatase TiO2: electronics, optical absorption, and interaction with water

  Jin, H., Wang, L., Searles, D. J. & Sun, C., 2014, In: Chinese Science Bulletin. 59, 18, p. 2175 - 2180 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  8 Citations (Scopus)

• Electronics, vacancies, optical properties, and band engineering of red photocatalyst SrNbO3: a computational investigation

  Sun, C. & Searles, D. J., 2014, In: Journal of Physical Chemistry C. 118, 21, p. 11267 - 11270 4 p.

  Research output: Contribution to journal › Article › Other › peer-review
  10 Citations (Scopus)

• Hydrogenation synthesis of blue TiO2 for high-performance lithium-ion batteries

  Qiu, J., Li, S., Gray, E. M., Liu, H. W., Gu, Q., Sun, C., Lai, C., Zhao, H. & Zhang, S., 2014, In: Journal of Physical Chemistry C. 118, 17, p. 8824 - 8830 7 p.

  Research output: Contribution to journal › Article › Research › peer-review
  177 Citations (Scopus)