Density functional of carbon nanostructures containing nitrogen defects-decorated by metallic nanoparticles-stability, formation and catalytic performance

SNIC 2018/3-443


SNAC Medium

Principal Investigator:

Thomas Wågberg


Umeå universitet

Start Date:


End Date:


Primary Classification:

10304: Condensed Matter Physics

Secondary Classification:

10402: Physical Chemistry



We are investigating a number of different interesting carbon nanostructures modified by substitutional defects, metal nanoparticles and transition metal oxide nanoparticles. The aim with our projects is to understand the stability and formation of these defects, the interaction of the carbon nanostructures with the metal nanoparticles and the performance of these materials for catalytic reaction such as water splitting, oxygen reduction reactions and alcohol oxidation in fuel cells. In the last period we have carried out a number of successful studies of fascinating hybrid materials, and we have published the following scientific papers using the HP2CN infrastructure. In all of them we have acknowledged HP2CN for support. In addition we have two papers that currently are accepted but yet not published. 1. R. Sandström, E. Gracia-Espino†, G. Hu, A. Shchukarev, J. Ma, T. Wågberg. “Yttria stabilized and surface activated platinum (PtxYOy) nanoparticles through rapid microwave assisted synthesis for oxygen reduction reaction” Nano Energy 46 (2018) 141-149. 2. A. Annamalai, R. Sandström, E. Gracia-Espino, N. Boulanger, J.-F. Boily, I. Mühlbacher, A. Shchukarev, T. Wågberg. “Influence of Sb5+ as a Double Donor on Hematite (Fe3+) Photoanodes for Surface-Enhanced Photoelectrochemical Water Oxidation” ACS Appl. Mater. Interfaces 10, 16467-16473 (2018). 3. A. Subramanian, E. Gracia-Espino‡, A. Annamalai, H. H. Lee, S Y. Lee, S. H. Choi, J. S. Jang. “Effect of Tetravalent Dopants on Hematite Nanostructure for Enhanced Photoelectrochemical Water Splitting” Appl. Surf. Sci. 427, 1203-1212 (2018). 4. W. L. Kwong, E. Gracia-Espino, C. C. Lee, R. Sandström, T. Wågberg, J. Messinger. “Cationic Vacancy Defects in Iron Phosphide: A Promising Route toward Efficient and Stable Hydrogen Evolution by Electrochemical Water Splitting”, ChemSusChem 10, 4544-4551 (2017). 5. H. Shen, E. Gracia- Espino,‡ J. Ma, K. Zang, J. Luo, L. Wang, S. Gao, X. Mamat, G. Hu, T. Wagberg, S. Guo. “Synergistic Effect between the Atomically Dispersed Active Site of Fe-N-C and C-S-C for ORR in Acidic Medium” Angew. Chem. Int. Ed. 56, 13800-13804 (2017). 6. H. Shen, E. Gracia-Espino, J. Ma, H. Tang, X. Mamat, T. Wagberg, G. Hu, S. Guo. “Atomically FeN2 Moieties Dispersed on Mesoporous Carbon: A New Atomic Catalyst for Efficient Oxygen Reduction Catalysis” Nano Energy, 35, 9-16 (2017) Two of the main PIs (Thomas Wågberg and Eduardo Gracia Espino) have recently been promoted at UmU. T. W is promoted to Professor in Physics, and E.G.E has now an associate Professor in Physics. We are grateful for your continous support and look forward to your decision.