List of PhD theses

PhD theses from our group can be found on this page: >> link to list of PhD theses >>

List of publications

The publications are currently ordered by title, yearwise. Click on the publication title to get more information about it.

1.

Theoretical study of core excitations of fullerene-based polymer solar cell acceptors X. N. Song, W. Hua, Y. Ma, C.-K. Wang and Y. Luo J. Phys. Chem. C 2012, 116, 23938 DOI: 10.1021/jp307834x

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2.

Refinement of DNA Structures through NEXAFS Analysis: Applications on Guanine and Cytosine Nucleobases, Nucleosides and Nucleotides W. Hua, B. Gao, S. Li, H. Ågren and Y. Luo J. Phys. Chem. B, 114 (2010) 13214

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3.

Systematic Study of Soft-X-Ray Spectra of Poly(Dg)-Poly(Dc) and Poly(Da)-Poly(Dt) DNA Duplexes W. Hua, H. Yamane, B. Gao, J. Jiang, S. Li, H. Kato, M. Kawai, T. Hatsui, Y. Luo, N. Kosugi and H. Agren , J. Phys. Chem. B, 114 (2010) 7016

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4.

X-ray absorption spectra of graphene from first-principles simulations W. Hua, B. Gao, S. Li, H. Ågren and Y. Luo Phys. Rev. B 82 (2010) 155433

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5.

Bio-nano interaction of proteins adsorbed on single-walled carbon nanotubes J. Zhong, L. Song, J. Meng, B. Gao, W.S. Chu, H.Y. Xu, Y. Luo, J.-H. Guo, A. Marcelli, S.S. Xie and Z.Y. Wu Carbon 47 (2009) 967

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6.

Chirality and diameter dependent x-ray absorption of single-walled carbon nanotubes B. Gao, Z.Y. Wu, H. Ågren and Y. Luo J. Chem. Phys. 131 (2009) 034704

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7.

The structural determination of an endohedral metallofullerene Gd@C82 by XANES L. Liu, B. Gao, W.S. Chu, D.L. Chen, T.D. Hu, C.R. Wang, L. Dunsch, A. Marcelli, Y. Luo and Z.Y. Wu Chem. Commu, (2008) 474.

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8.

Effects due to interadsorbate interactions on the dipeptide/TiO2 surface binding mechanism investigated by molecular dynamics simulations S. Monti, V. Carravetta, W.-H. Zhang and J.-L. Yang J. Phys. Chem. C 111 (2007) 7765.

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9.

Photoinduced Formation of N2 Molecules in Ammonium Compounds E. F. Aziz, J. Grasjoe, J. Forsberg, E. Andersson, J. Soederstroem, L. Duda, W.-H. Zhang, J.-L. Yang, S. Eisebitt, C. Bergstroem, Y. Luo, J. Nordgren, W. Eberhardt and J.-E. Rubensson J. Phys. Chem. A, 111 (2007) 9662

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10.

The Electronic Structure of Iron Phthalocyanine probed by means of PES, XAS and DFT calculations J. Å hlund, K. Nilson, J. Schiessling, L. Kjeldgaard, S. Berner, N. M å rtensson, C. Puglia, B. Brena, M. Nyberg and Y. Luo J. Chem. Phys. 125 (2006) 034709

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11.

Characterization of the electronic structures of C50Cl10 by means of soft x-ray spectroscopies B. Brena and Y. Luo J. Chem. Phys.. 123 (2005) 244305

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12.

Characterization of aza-fullerene C58N2 by X-ray spectroscopy S. Kashtanov, O. Rubio-Pons, Y. Luo, H. Ågren, S. Stafström and S. Csillag Chem. Phys. Lett., 371 (2003) 98

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13.

Electronic structures of azafullerene C48N12 B. Brena and Y. Luo J. Chem. Phys. 119 (2003) 7139

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14.

C70 adsorbed on Cu(111): metallic character and molecular orientation A. Goldoni, C. Cepek, R. Larciprete, L. Sangaletti, S. Pagliara, L. Floreano, R. Gotter, A. Verdini, A. Morgante, Y. Luo and M. Nyberg J. Chem. Phys., 116 (2002) 7685.

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15.

Identifying isomers of C78 by means of x-ray spectroscopy A. Bassan, M. Nyberg and Y. Luo Phys. Rev. B., 65, (2002) 165402.

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16.

Nitrogen bonding structure in carbon nitride thin films studied by soft x-ray spectroscopy N. Hellgren, J.-E. Sundgren, J.-H., Guo, C. Såthe, A. Agui, J. Nordgren, Y. Luo and H. Ågren Appl. Phys. Lett.,79, 4348 (2001)

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17.

Calculations of valence electron binding energies using Kohn-Sham theory and transition potentials. O. Plashkevych, H. Ågren, L. Karlsson and L.G.M. Pettersson. J. Electron Spectrosc. Rel. Phen.,106 (2000) 51-63 Attached: dft_ups2000.pdf

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18.

Continuum modeling of multi-mode vibronic structure in NEXAFS T. Privalov, O. Plashkevych, F. Gel'mukhanov and H. Ågren J.Chem. Phys., 113, 3734 (2000). Attached: JCP03734.pdf

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19.

Core hole effects in X-ray absorption spectra of fullerenes M. Nyberg, Y. Luo, L. Triguero, L. G.M. Pettersson and H. Ågren Phys. Rev. B 60, 7956 (1999)

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20.

Orientation of 10,11-Dihydrocinchonidine on Pt(111) T. Evans, A.P. Woodhead, A. Gutièrrez-Soza, G. Thornton, T.J. Hall, A.A. Davis, N.A. Young, P.B. Wells, R.J. Oldman, O. Plashkevych, O. Vahtras, H. Ågren and V. Carravetta Surface Science Letters, 436, L691-L696 (1999) Attached: surfsc436.pdf

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21.

Assembly and decompostion of building block models to analyze polymer NEXAFS spectra L.G.M. Pettersson, H. Ågren, B.L. Schurmann, A. Lippitz and W.E.S. Unger Int. J. Quant. Chem. 63, 749 (1997)

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22.

Near-edge core photoabsorption of polyenes. V. Carravetta, H. Ågren, L.G.M. Pettersson and O. Vahtras J. Chem. Phys. 102, 5589 (1995)

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23.

Near-edge core photoionization of polyacenes. Model molecules for graphite. H. Ågren, V. Carravetta and O. Vahtras Chem. Phys. 195, 47 (1995)

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24.

Orientational probing of polymeric thin films by NEXAFS.Calculations on polytetrafluoroethylene. H. Ågren, V. Carravetta, O. Vahtras and L.G.M. Pettersson Phys. Rev. B 51, 17848 (1995)

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