Our group's recent publications:

2016

  1. Ch. J Sahle, A Rosa, M Rossi, V Cerantola, G Spiekermann, S Petitgirard, J Jacobs, S Huotari, Moretti M Sala and A Mirone. Direct tomography imaging for inelastic x-ray scattering experiments at high pressure. J. Synchrotron Radiat., 2016. BibTeX

    @article{sahle16b,
    	author = "Ch. J. Sahle and A. Rosa and M. Rossi and V. Cerantola and G. Spiekermann and S. Petitgirard and J. Jacobs and S. Huotari and M. {Moretti Sala} and A. Mirone",
    	year = 2016,
    	journal = "J. Synchrotron Radiat.",
    	note = "In press",
    	title = "Direct tomography imaging for inelastic x-ray scattering experiments at high pressure"
    }
    
  2. J Niskanen, K Kooser, J Koskelo, T Kaambre, K Kunnus, A Pietzsch, W Quevedo, M Hakala, A Föhlisch, S Huotari and E Kukk. Density functional simulation of resonant inelastic X-ray scattering experiments in liquids: acetonitrile. Phys. Chem. Chem. Phys., page 26026, 2016. URL BibTeX

    @article{niskanen16b,
    	author = {J. Niskanen and K. Kooser and J. Koskelo and T. Kaambre and K. Kunnus and A. Pietzsch and W. Quevedo and M. Hakala and A. F{\"o}hlisch and S. Huotari and E. Kukk},
    	title = "Density functional simulation of resonant inelastic X-ray scattering experiments in liquids: acetonitrile",
    	year = 2016,
    	journal = "Phys. Chem. Chem. Phys.",
    	pages = 26026,
    	url = "http://dx.doi.org/10.1039/C6CP03220F"
    }
    
  3. R Rice, A Kallonen, J Cebra-Thomas and S F Gilbert. Development of the turtle plastron, the order-defining skeletal structure. Proc. Nat. Acad. Sci. USA, 2016. URL BibTeX

    @article{rice16a,
    	author = "R. Rice and A. Kallonen and J. Cebra-Thomas and S. F. Gilbert",
    	year = 2016,
    	journal = "Proc. Nat. Acad. Sci. USA",
    	url = "www.pnas.org/cgi/doi/10.1073/pnas.1600958113",
    	title = "Development of the turtle plastron, the order-defining skeletal structure"
    }
    
  4. E Palomäki, P Ahvenainen, H Ehlers, K Svedström, S Huotari and J Yliruusi. Monitoring the recrystallisation of amorphous xylitol using Raman spectroscopy and wide-angle X-ray scattering. Int. J. Pharmaceutics 508:71, 2016. URL BibTeX

    @article{palomaki16a,
    	author = {E. Palom{\"a}ki and P. Ahvenainen and H. Ehlers and K. Svedstr{\"o}m and S. Huotari and J. Yliruusi},
    	journal = "Int. J. Pharmaceutics",
    	year = 2016,
    	volume = 508,
    	pages = 71,
    	title = "Monitoring the recrystallisation of amorphous xylitol using Raman spectroscopy and wide-angle X-ray scattering",
    	url = "http://dx.doi.org/10.1016/j.ijpharm.2016.04.074"
    }
    
  5. E Müller, B Büchner, C Habenicht, A Koenig, M Knupfer, H Berger and S Huotari. Doping dependent plasmon dispersion in 2$H$-transition metal dichalcogenides. Phys. Rev. B, page 035110, 2016. URL BibTeX

    @article{muller16a,
    	author = {E. M{\"u}ller and B. B{\"u}chner and C. Habenicht and A. Koenig and M. Knupfer and H. Berger and S. Huotari},
    	year = 2016,
    	journal = "Phys. Rev. B",
    	pages = 035110,
    	title = "Doping dependent plasmon dispersion in 2$H$-transition metal dichalcogenides",
    	url = "http://dx.doi.org/10.1103/PhysRevB.94.035110"
    }
    
  6. J Koskelo, J Hashemi, S Huotari and M Hakala. First-principles analysis of the intermediate band in CuGa(1-x)FexS2. Phys. Rev. B 93:165204, 2016. URL BibTeX

    @article{koskelo16a,
    	author = "J. Koskelo and J. Hashemi and S. Huotari and M. Hakala",
    	year = 2016,
    	journal = "Phys. Rev. B",
    	volume = 93,
    	pages = 165204,
    	title = "First-principles analysis of the intermediate band in CuGa(1-x)FexS2",
    	url = "http://dx.doi.org/10.1103/PhysRevB.93.165204"
    }
    
  7. P Cudazzo, E Müller, C Habenicht, M Gatti, H Berger, M Knupfer, A Rubio and S Huotari. Negative plasmon dispersion in 2H-NbS2 beyond the charge-density-wave interpretation. New J. Physics 18:1367, 2016. URL BibTeX

    @article{cudazzo16a,
    	author = {P. Cudazzo and E. M{\"u}ller and C. Habenicht and M. Gatti and H. Berger and M. Knupfer and A. Rubio and S. Huotari},
    	year = 2016,
    	journal = "New J. Physics",
    	url = "http://dx.doi.org/10.1088/1367-2630/18/10/103050",
    	title = "Negative plasmon dispersion in 2H-NbS2 beyond the charge-density-wave interpretation",
    	volume = 18,
    	pages = 1367
    }
    
  8. F Lehmkühler, Y Forov, T Büning, C J Sahle, I Steinke, K Julius, T Buslaps, M Tolan, M Hakala and C Sternemann. Intramolecular structure and energetics in supercooled water down to 255 K (open access). Phys. Chem. Chem. Phys. 18:6925, 2016. URL BibTeX

    @article{lehmkuhler16a,
    	author = {F. Lehmk{\"u}hler and Y. Forov and T. B{\"u}ning and C. J. Sahle and I. Steinke and K. Julius and T. Buslaps and M. Tolan and M. Hakala and C. Sternemann},
    	year = 2016,
    	journal = "Phys. Chem. Chem. Phys.",
    	pages = 6925,
    	volume = 18,
    	title = "Intramolecular structure and energetics in supercooled water down to 255 K (open access)",
    	url = "http://dx.doi.org/10.1039/C5CP07721D"
    }
    
  9. K O Ruotsalainen, A -P Honkanen, S P Collins, G Monaco, Moretti M Sala, M Krisch, K Hämäläinen, M Hakala and S Huotari. Resonant X-ray emission with a standing wave excitation (open access). 6:22648, 2016. URL BibTeX

    @article{ruotsalainen16a,
    	author = {K. O. Ruotsalainen and A.-P. Honkanen and S. P. Collins and G. Monaco and M. Moretti Sala and M. Krisch and K. H{\"a}m{\"a}l{\"a}inen and M. Hakala and S. Huotari},
    	title = "Resonant X-ray emission with a standing wave excitation (open access)",
    	volume = 6,
    	pages = 22648,
    	year = 2016,
    	url = "http://www.nature.com/articles/srep22648"
    }
    
  10. A -P Honkanen, G Monaco and S Huotari. A computationally efficient method to solve the Takagi-Taupin equations for a large deformed crystal (open access). arXiv:1601.07427 [physics.optics], 2016. URL BibTeX

    @article{honkanen16a,
    	author = "A.-P. Honkanen and G. Monaco and S. Huotari",
    	year = 2016,
    	title = "A computationally efficient method to solve the Takagi-Taupin equations for a large deformed crystal (open access)",
    	journal = "arXiv:1601.07427 [physics.optics]",
    	url = "http://arxiv.org/abs/1601.07427"
    }
    
  11. J Niskanen, C J Sahle, K O Ruotsalainen, H Müller, M Kavcic, M Zitnik, K Bucar, M Petric, M Hakala and S Huotari. Sulphur Kb emission spectra reveal protonation states of aqueous sulfuric acid (open access). Sci. Rep. 6:21012, 2016. URL BibTeX

    @article{niskanen16a,
    	author = {J. Niskanen and C. J. Sahle and K. O. Ruotsalainen and H. M{\"u}ller and M. Kavcic and M. Zitnik and K. Bucar and M. Petric and M. Hakala and S. Huotari},
    	title = "Sulphur Kb emission spectra reveal protonation states of aqueous sulfuric acid (open access)",
    	journal = "Sci. Rep.",
    	volume = 6,
    	pages = 21012,
    	url = "http://dx.doi.org/10.1038/srep21012",
    	year = 2016
    }
    
  12. M Aramini, J Niskanen, C Cavallari, D Pontiroli, A Musazay, M Krisch, M Hakala and S Huotari. Probing the thermal stability and decomposition mechanism of a magnesium-fullerene polymer via X-ray Raman spectroscopy, X-ray diffraction and molecular dynamics simulations (open access). Phys. Chem. Chem. Phys., 2016. URL BibTeX

    @article{aramini16a,
    	author = "M. Aramini and J. Niskanen and C. Cavallari and D. Pontiroli and A. Musazay and M. Krisch and M. Hakala and S. Huotari",
    	year = 2016,
    	title = "Probing the thermal stability and decomposition mechanism of a magnesium-fullerene polymer via X-ray Raman spectroscopy, X-ray diffraction and molecular dynamics simulations (open access)",
    	journal = "Phys. Chem. Chem. Phys.",
    	url = "http://pubs.rsc.org/en/content/articlelanding/2016/cp/c5cp07783d#!divAbstract"
    }
    
  13. C J Sahle, S Kujawski, A Remhof, Y Yan, N Stadie, A Al-Zein, M tolan, S Huotari, M Krisch and C Sternemann. In-situ characterization of the decomposition behavior of Mg(BH4)2 by X-ray Raman scattering spectroscopy (open access). Phys. Chem. Chem. Phys., 2016. URL BibTeX

    @article{sahle16a,
    	author = "C. J. Sahle and S. Kujawski and A. Remhof and Y. Yan and N. Stadie and A. Al-Zein and M. tolan and S. Huotari and M. Krisch and C. Sternemann",
    	year = 2016,
    	title = "In-situ characterization of the decomposition behavior of Mg(BH4)2 by X-ray Raman scattering spectroscopy (open access)",
    	journal = "Phys. Chem. Chem. Phys.",
    	url = "http://pubs.rsc.org/en/content/articlelanding/2016/cp/c5cp06571b#!divAbstract"
    }
    

2015

  1. C J Sahle, C Henriquet, M A Schroer, I Juurinen, J Niskanen and M Krisch. A miniature closed-circle flow cell for high photon flux X-ray scattering experiments. Journal of Synchrotron Radiation 22:1555, 2015. URL BibTeX

    @article{sahle15b,
    	author = "C. J. Sahle and C. Henriquet and M. A. Schroer and I. Juurinen and J. Niskanen and M. Krisch",
    	year = 2015,
    	journal = "Journal of Synchrotron Radiation",
    	volume = 22,
    	title = "A miniature closed-circle flow cell for high photon flux X-ray scattering experiments",
    	pages = 1555,
    	url = "http://scripts.iucr.org/cgi-bin/paper?S1600577515016331"
    }
    
  2. J Inkinen, J Niskanen, T Talka, C Sahle, H Müller, L Khriachchev, J Hashemi, A Akbari, M Hakala and S Huotari. X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study (open access). Scientific Reports 5:15851, 2015. URL BibTeX

    @article{inkinen15a,
    	author = {J. Inkinen and J. Niskanen and T. Talka and C. Sahle and H. M{\"u}ller and L. Khriachchev and J. Hashemi and A. Akbari and M. Hakala and S. Huotari},
    	year = 2015,
    	journal = "Scientific Reports",
    	volume = 5,
    	pages = 15851,
    	url = "http://dx.doi.org/10.1038/srep15851",
    	title = "X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study (open access)"
    }
    
  3. J Niskanen, C J Sahle, I Juurinen, J Koskelo, S Lehtola, R Verbeni, H Müller, M Hakala and S Huotari. Protonation Dynamics and Hydrogen Bonding in Aqueous Sulfuric Acid. Journal of Physical Chemistry B 119:11732, 2015. URL BibTeX

    @article{niskanen15a,
    	author = {J. Niskanen and C. J. Sahle and I. Juurinen and J. Koskelo and S. Lehtola and R. Verbeni and H. M{\"u}ller and M. Hakala and S. Huotari},
    	journal = "Journal of Physical Chemistry B",
    	year = 2015,
    	title = "Protonation Dynamics and Hydrogen Bonding in Aqueous Sulfuric Acid",
    	url = "http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.5b04371",
    	volume = 119,
    	pages = 11732
    }
    
  4. G Fugallo, M Aramini, J Koskelo, K Watanabe, T Taniguchi, M Hakala, S Huotari, M Gatti and F Sottile. Exciton energy-momentum map of hexagonal boron nitride. Phys. Rev. B, 2015. BibTeX

    @article{fugallo2015a,
    	author = "G. Fugallo and M. Aramini and J. Koskelo and K. Watanabe and T. Taniguchi and M. Hakala and S. Huotari and M. Gatti and F. Sottile",
    	year = 2015,
    	title = "Exciton energy-momentum map of hexagonal boron nitride",
    	journal = "Phys. Rev. B",
    	note = "accepted."
    }
    
  5. K O Ruotsalainen, C Sahle, T Ritschel, J Geck, M Hosoda, C Bell, Y Hikita, H Hwang, T T Fister and R Gordon. Inelastic x-ray scattering in heterostructures: electronic excitations in LaAlO3/SrTiO3. J. Phys.: Cond. Matter 27:335501, 2015. URL BibTeX

    @article{Ruotsalainen2015a,
    	author = "K. O. Ruotsalainen and C. Sahle and T. Ritschel and J. Geck and M. Hosoda and C. Bell and Y. Hikita and H. Hwang and T. T. Fister and R. Gordon",
    	year = 2015,
    	title = "Inelastic x-ray scattering in heterostructures: electronic excitations in LaAlO3/SrTiO3",
    	journal = "J. Phys.: Cond. Matter",
    	volume = 27,
    	pages = 335501,
    	url = "http://iopscience.iop.org/article/10.1088/0953-8984/27/33/335501"
    }
    
  6. A Akbari, J Hashemi, S Huotari and M Hakala. Identification of the dye adsorption modes in dye-sensitised solar cells with X-ray spectroscopy techniques: a computational study. Phys. Chem. Chem. Phys. 17:10849, 2015. URL BibTeX

    @article{Akbari2015,
    	author = "A. Akbari and J. Hashemi and S. Huotari and M. Hakala",
    	year = 2015,
    	journal = "Phys. Chem. Chem. Phys.",
    	title = "Identification of the dye adsorption modes in dye-sensitised solar cells with X-ray spectroscopy techniques: a computational study",
    	volume = 17,
    	pages = 10849,
    	url = "http://pubs.rsc.org/en/content/articlelanding/2015/cp/c4cp05980h#!divAbstract"
    }
    
  7. S Huotari, E Suljoti, C Sahle, S Rädel, G Monaco and F Groot. High-resolution nonresonant x-ray Raman scattering study on rare earth phosphate nanoparticles. New J. Phys. 17:043041, 2015. URL BibTeX

    @article{Huotari2015a,
    	author = {S. Huotari and E. Suljoti and C. Sahle and S. R{\"a}del and G. Monaco and F. de Groot},
    	journal = "New J. Phys.",
    	year = 2015,
    	title = "High-resolution nonresonant x-ray Raman scattering study on rare earth phosphate nanoparticles",
    	volume = 17,
    	url = "http://dx.doi.org/10.1088/1367-2630/17/4/043041",
    	pages = 043041
    }
    
  8. C Sahle, A Mirone, J Niskanen, J Inkinen, M Krisch and S Huotari. Planning, performing, and analyzing x-ray Raman scattering experiments. Journal of Synchrotron Radiation 22:400-409, 2015. BibTeX

    @article{Sahle2015a,
    	author = "C. Sahle and A. Mirone and J. Niskanen and J. Inkinen and M. Krisch and S. Huotari",
    	title = "Planning, performing, and analyzing x-ray Raman scattering experiments",
    	year = 2015,
    	journal = "Journal of Synchrotron Radiation",
    	volume = 22,
    	pages = "400-409"
    }
    
  9. J Weinen, T C Koethe, C F Chang, S Agrestini, D Kasinathan, Y F Liao, H Fujiwara, C Schüßler-Langeheine, F Strigari, T Haupricht, G Panaccione, F Offi, G Monaco, S Huotari, K -D Tsuei and L H Tjeng. Polarization dependent hard X-ray photoemission experiments for solids: Efficiency and limits for unraveling the orbital character of the valence band. Journal of Electron Spectroscopy and Related Phenomena 198(0):6 - 11, 2015. URL, DOI BibTeX

    @article{Weinen20156,
    	title = "Polarization dependent hard X-ray photoemission experiments for solids: Efficiency and limits for unraveling the orbital character of the valence band",
    	journal = "Journal of Electron Spectroscopy and Related Phenomena",
    	volume = 198,
    	number = 0,
    	pages = "6 - 11",
    	year = 2015,
    	note = "",
    	issn = "0368-2048",
    	doi = "http://dx.doi.org/10.1016/j.elspec.2014.11.003",
    	url = "http://www.sciencedirect.com/science/article/pii/S0368204814002370",
    	author = "J. Weinen and T.C. Koethe and C.F. Chang and S. Agrestini and D. Kasinathan and Y.F. Liao and H. Fujiwara and C. Schüßler-Langeheine and F. Strigari and T. Haupricht and G. Panaccione and F. Offi and G. Monaco and S. Huotari and K.-D. Tsuei and L.H. Tjeng",
    	keywords = "Photoelectron angular distribution"
    }
    

2014

  1. J Koskelo, I Juurinen, K O Ruotsalainen, M McGrath, I-F Kuo, S Lehtola, S Galambosi, K Hämäläinen, S Huotari and M Hakala. . The Journal of Chemical Physics 141, 2014. BibTeX

    @article{Koskelo2014a,
    	author = {J. Koskelo and I. Juurinen and K. O. Ruotsalainen and M. McGrath and I-F. Kuo and S. Lehtola and S. Galambosi and K. H{\"a}m{\"a}l{\"a}inen and S. Huotari and M. Hakala},
    	year = 2014,
    	journal = "The Journal of Chemical Physics",
    	volume = 141,
    	note = "accepted"
    }
    
  2. T Löytynoja, J Niskanen, K Jänkälä, O Vahtras, Z Rin kevicius and H Ågren. Quantum Mechanics/Molecular Mechanics Modeling of Photoelectron Spectra: The Carbon 1s Core–Electron Binding Energies of Ethanol–Water Solutions. The Journal of Physical Chemistry B 118(46):13217-13225, 2014. URL, DOI BibTeX

    @article{doi:10.1021/jp506410w,
    	author = "Löytynoja, T. and Niskanen, J. and Jänkälä, K. and Vahtras, O. and Rin kevicius, Z. and Ågren, H.",
    	title = "Quantum Mechanics/Molecular Mechanics Modeling of Photoelectron Spectra: The Carbon 1s Core–Electron Binding Energies of Ethanol–Water Solutions",
    	journal = "The Journal of Physical Chemistry B",
    	volume = 118,
    	number = 46,
    	pages = "13217-13225",
    	year = 2014,
    	doi = "10.1021/jp506410w",
    	note = "PMID: 25340948",
    	url = "http://dx.doi.org/10.1021/jp506410w",
    	eprint = "http://dx.doi.org/10.1021/jp506410w"
    }
    
  3. Mauritz J Ryding, Alexandre Giuliani, Minna Patanen, Johannes Niskanen, Grazieli Simoes, Glenn B S Miller, Egill Antonsson, Tuija Jokinen, Catalin Miron, Olle Bjorneholm, Klavs Hansen, Knut J Borve and Einar Uggerud. X-ray induced fragmentation of size-selected salt cluster-ions stored in an ion trap. RSC Adv. 4:47743-47751, 2014. URL, DOI BibTeX

    @article{C4RA09787D,
    	author = "Ryding, Mauritz J. and Giuliani, Alexandre and Patanen, Minna and Niskanen, Johannes and Simoes, Grazieli and Miller, Glenn B. S. and Antonsson, Egill and Jokinen, Tuija and Miron, Catalin and Bjorneholm, Olle and Hansen, Klavs and Borve, Knut J. and Uggerud, Einar",
    	title = "X-ray induced fragmentation of size-selected salt cluster-ions stored in an ion trap",
    	journal = "RSC Adv.",
    	year = 2014,
    	volume = 4,
    	issue = 88,
    	pages = "47743-47751",
    	publisher = "The Royal Society of Chemistry",
    	doi = "10.1039/C4RA09787D",
    	url = "http://dx.doi.org/10.1039/C4RA09787D",
    	abstract = "A method for spectroscopic characterization of free ionic clusters and nanoparticles utilizing X-ray synchrotron radiation is presented. We demonstrate that size-selected ammonium bisulphate cluster ions{,} NH4+(NH4HSO4)n{,} captured in a linear ion trap{,} exhibit well-defined core-level absorption edges in the reconstructed fragment-ion abundance spectra. In addition to the specific photo-fragmentation pathways observed at the N1s-{,} O1s- and S2p-edges{,} dissociation also occurs as a consequence of clusters colliding with helium present as buffer gas in the ion trap. Separate off-beam experiments were conducted to establish the activation kinetics of these collision induced dissociation processes. Furthermore{,} it is demonstrated that the electrons released upon photoionization of background helium are too few in number to produce multiply charged cluster ions{,} and thereby induce fragmentation of the salt clusters{,} to any significant degree. The mechanisms for photon absorption and subsequent cluster fragmentation are analysed and discussed. In addition to its inherent element specificity{,} the method holds promise for cluster structure elucidation resulting from the sensitivity of the near edge absorption structure to the local chemical environment of the excited atom."
    }
    
  4. Pierluigi Cudazzo, Kari O Ruotsalainen, Christoph J Sahle, Ali Al-Zein, Helmuth Berger, Efrén Navarro-Moratalla, Simo Huotari, Matteo Gatti and Angel Rubio. High-energy collective electronic excitations in layered transition-metal dichalcogenides. Phys. Rev. B 90:125125, September 2014. URL, DOI BibTeX

    @article{PhysRevB.90.125125,
    	title = "High-energy collective electronic excitations in layered transition-metal dichalcogenides",
    	author = "Cudazzo, Pierluigi and Ruotsalainen, Kari O. and Sahle, Christoph J. and Al-Zein, Ali and Berger, Helmuth and Navarro-Moratalla, Efr\'en and Huotari, Simo and Gatti, Matteo and Rubio, Angel",
    	journal = "Phys. Rev. B",
    	volume = 90,
    	issue = 12,
    	pages = 125125,
    	numpages = 7,
    	year = 2014,
    	month = "Sep",
    	publisher = "American Physical Society",
    	doi = "10.1103/PhysRevB.90.125125",
    	url = "http://link.aps.org/doi/10.1103/PhysRevB.90.125125"
    }
    
  5. J Hashemi, A Akbari, S Huotari and M Hakala. Multi-intermediate-band character of Ti-substituted CuGaS2: Implications for photovoltaic applications. Phys. Rev. B 90:075154, August 2014. URL, DOI BibTeX

    @article{PhysRevB.90.075154,
    	title = "Multi-intermediate-band character of Ti-substituted CuGaS2: Implications for photovoltaic applications",
    	author = "Hashemi, J. and Akbari, A. and Huotari, S. and Hakala, M.",
    	journal = "Phys. Rev. B",
    	volume = 90,
    	issue = 7,
    	pages = 075154,
    	numpages = 5,
    	year = 2014,
    	month = "Aug",
    	publisher = "American Physical Society",
    	doi = "10.1103/PhysRevB.90.075154",
    	url = "http://link.aps.org/doi/10.1103/PhysRevB.90.075154"
    }
    
  6. Iina Juurinen, Tuomas Pylkkänen, Christoph J Sahle, Laura Simonelli, Keijo Hämäläinen, Simo Huotari and Mikko Hakala. Effect of the Hydrophobic Alcohol Chain Length on the Hydrogen-Bond Network of Water. The Journal of Physical Chemistry B 118(29):8750-8755, 2014. URL, DOI BibTeX

    @article{doi:10.1021/jp5045332,
    	author = {Juurinen, Iina and Pylkk{\"a}nen, Tuomas and Sahle, Christoph J. and Simonelli, Laura and H{\"a}m{\"a}l{\"a}inen, Keijo and Huotari, Simo and Hakala, Mikko},
    	title = "Effect of the Hydrophobic Alcohol Chain Length on the Hydrogen-Bond Network of Water",
    	journal = "The Journal of Physical Chemistry B",
    	volume = 118,
    	number = 29,
    	pages = "8750-8755",
    	year = 2014,
    	doi = "10.1021/jp5045332",
    	url = "http://pubs.acs.org/doi/abs/10.1021/jp5045332",
    	eprint = "http://pubs.acs.org/doi/pdf/10.1021/jp5045332"
    }
    
  7. Ari-Pekka Honkanen, Roberto Verbeni, Laura Simonelli, Marco Moretti Sala, Ali Al-Zein, Michael Krisch, Giulio Monaco and Simo Huotari. Improving the energy resolution of bent crystal X-ray spectrometers with position-sensitive detectors. Journal of Synchrotron Radiation 21(4):762–767, July 2014. URL, DOI BibTeX

    @article{Honkanen:hf5260,
    	author = "Honkanen, Ari-Pekka and Verbeni, Roberto and Simonelli, Laura and Moretti Sala, Marco and Al-Zein, Ali and Krisch, Michael and Monaco, Giulio and Huotari, Simo",
    	title = "{Improving the energy resolution of bent crystal X-ray spectrometers with position-sensitive detectors}",
    	journal = "Journal of Synchrotron Radiation",
    	year = 2014,
    	volume = 21,
    	number = 4,
    	pages = "762--767",
    	month = "Jul",
    	doi = "10.1107/S1600577514011163",
    	url = "http://dx.doi.org/10.1107/S1600577514011163"
    }
    
  8. Iina Juurinen, Szabolcs Galambosi, Adina G Anghelescu-Hakala, Jaakko Koskelo, Veijo Honkimäki, Keijo Hämäläinen, Simo Huotari and Mikko Hakala. Molecular-Level Changes of Aqueous Poly(N-isopropylacrylamide) in Phase Transition. The Journal of Physical Chemistry B 118(20):5518-5523, 2014. URL, DOI BibTeX

    @article{doi:10.1021/jp501913p,
    	author = {Juurinen, Iina and Galambosi, Szabolcs and Anghelescu-Hakala, Adina G. and Koskelo, Jaakko and Honkim{\"a}ki, Veijo and H{\"a}m{\"a}l{\"a}inen, Keijo and Huotari, Simo and Hakala, Mikko},
    	title = "Molecular-Level Changes of Aqueous Poly(N-isopropylacrylamide) in Phase Transition",
    	journal = "The Journal of Physical Chemistry B",
    	volume = 118,
    	number = 20,
    	pages = "5518-5523",
    	year = 2014,
    	doi = "10.1021/jp501913p",
    	url = "http://pubs.acs.org/doi/abs/10.1021/jp501913p",
    	eprint = "http://pubs.acs.org/doi/pdf/10.1021/jp501913p"
    }
    
  9. A Nyrow, C Sternemann, M Wilke, R A Gordon, K Mende, H Yavaş, L Simonelli, N Hiraoka, Ch.J. Sahle, S Huotari, G B Andreozzi, A B Woodland, M Tolan and J S Tse. Iron speciation in minerals and glasses probed by \hboxM_2/3-edge X-ray Raman scattering spectroscopy. Contributions to Mineralogy and Petrology 167(5), 2014. URL, DOI BibTeX

    @article{IronSpeciation,
    	year = 2014,
    	issn = "0010-7999",
    	journal = "Contributions to Mineralogy and Petrology",
    	eid = 1012,
    	volume = 167,
    	number = 5,
    	doi = "10.1007/s00410-014-1012-8",
    	title = "Iron speciation in minerals and glasses probed by \hbox{M}_{2/3}-edge X-ray Raman scattering spectroscopy",
    	url = "http://dx.doi.org/10.1007/s00410-014-1012-8",
    	publisher = "Springer Berlin Heidelberg",
    	keywords = "Iron speciation; Minerals; X-Ray scattering; X-Ray absorption spectroscopy",
    	author = "Nyrow, A. and Sternemann, C. and Wilke, M. and Gordon, R.A. and Mende, K. and Yavaş, H. and Simonelli, L. and Hiraoka, N. and Sahle, Ch.J. and Huotari, S. and Andreozzi, G.B. and Woodland, A.B. and Tolan, M. and Tse, J.S.",
    	language = "English"
    }
    
  10. S Huotari, L Simonelli, C J Sahle, Moretti M Sala, R Verbeni and G Monaco. Temperature dependence of crystal field excitations in CuO. Journal of Physics: Condensed Matter 26(16):165501, 2014. URL BibTeX

    @article{0953-8984-26-16-165501,
    	author = "S Huotari and L Simonelli and C J Sahle and M Moretti Sala and R Verbeni and G Monaco",
    	title = "Temperature dependence of crystal field excitations in CuO",
    	journal = "Journal of Physics: Condensed Matter",
    	volume = 26,
    	number = 16,
    	pages = 165501,
    	url = "http://stacks.iop.org/0953-8984/26/i=16/a=165501",
    	year = 2014,
    	abstract = "We report a study on the temperature dependence of charge-neutral crystal field (dd) excitations in cupric oxide, using nonresonant inelastic x-ray scattering spectroscopy. Thanks to a very high-energy resolution (Δ E = 60 meV), we observe thermal effects on the dd excitation spectrum fine structure between temperatures of 10–320 K. The spectra broaden considerably with increasing temperature, consistently with an enhancement of the coupling between crystal field excitations and the temperature-dependent continuum of states above the band gap. We discuss this and other mechanisms that may explain this temperature dependence."
    }
    
  11. Simo Huotari, Laura Simonelli, Valentina M Giordano, Anna E Rintala, Christoph J Sahle, Mikko Hakala, Pieter Glatzel, Roberto Verbeni and Giulio Monaco. Crystal-field excitations in NiO under high pressure studied by resonant inelastic x-ray scattering. Journal of Physics: Condensed Matter 26(13):135501, 2014. URL BibTeX

    @article{0953-8984-26-13-135501,
    	author = "Simo Huotari and Laura Simonelli and Valentina M Giordano and Anna E Rintala and Christoph J Sahle and Mikko Hakala and Pieter Glatzel and Roberto Verbeni and Giulio Monaco",
    	title = "Crystal-field excitations in NiO under high pressure studied by resonant inelastic x-ray scattering",
    	journal = "Journal of Physics: Condensed Matter",
    	volume = 26,
    	number = 13,
    	pages = 135501,
    	url = "http://stacks.iop.org/0953-8984/26/i=13/a=135501",
    	year = 2014,
    	abstract = "We report a study on charge-neutral crystal-field (dd) excitations in NiO as a function of applied pressure up to 55 GPa, using resonant inelastic x-ray scattering spectroscopy at the Ni K edge. We find distinct signatures of the pressure-induced modifications to the 3d orbital energies as a function of pressure. These modifications are experimentally evidenced by a subtle splitting of the dd-excitation resonance energies. We compare the experimental results to a charge-transfer cluster-model calculation, and a LSDA + U calculation of the ground state as a function of lattice constant. We thus show how resonant inelastic x-ray scattering spectroscopy is able to give insights into the manifold of excited states even in conditions that are difficult to access with many traditional experimental techniques."
    }
    
  12. Juho Inkinen, Johannes Niskanen, Arto Sakko, Kari O Ruotsalainen, Tuomas Pylkkänen, Szabolcs Galambosi, Mikko Hakala, Giulio Monaco, Keijo Hämäläinen and Simo Huotari. Interplay between Temperature-Activated Vibrations and Nondipolar Effects in the Valence Excitations of the CO2 Molecule. The Journal of Physical Chemistry A 118(18):3288-3294, 2014. URL, DOI BibTeX

    @article{doi:10.1021/jp5019058,
    	author = {Inkinen, Juho and Niskanen, Johannes and Sakko, Arto and Ruotsalainen, Kari O. and Pylkk{\"a}nen, Tuomas and Galambosi, Szabolcs and Hakala, Mikko and Monaco, Giulio and H{\"a}m{\"a}l{\"a}inen, Keijo and Huotari, Simo},
    	title = "Interplay between Temperature-Activated Vibrations and Nondipolar Effects in the Valence Excitations of the CO2 Molecule",
    	journal = "The Journal of Physical Chemistry A",
    	volume = 118,
    	number = 18,
    	pages = "3288-3294",
    	year = 2014,
    	doi = "10.1021/jp5019058",
    	url = "http://pubs.acs.org/doi/abs/10.1021/jp5019058",
    	eprint = "http://pubs.acs.org/doi/pdf/10.1021/jp5019058"
    }
    
  13. Ch J Sahle, C Sternemann, H Sternemann, J S Tse, R A Gordon, S Desgreniers, S Maekawa, S Yamanaka, F Lehmkühler, D C F Wieland, K Mende, S Huotari and M Tolan. The Ba 4d–4f giant dipole resonance in complex Ba/Si compounds. Journal of Physics B: Atomic, Molecular and Optical Physics 47(4):045102, 2014. URL BibTeX

    @article{0953-4075-47-4-045102,
    	author = "Ch J Sahle and C Sternemann and H Sternemann and J S Tse and R A Gordon and S Desgreniers and S Maekawa and S Yamanaka and F Lehmkühler and D C F Wieland and K Mende and S Huotari and M Tolan",
    	title = "The Ba 4d–4f giant dipole resonance in complex Ba/Si compounds",
    	journal = "Journal of Physics B: Atomic, Molecular and Optical Physics",
    	volume = 47,
    	number = 4,
    	pages = 045102,
    	url = "http://stacks.iop.org/0953-4075/47/i=4/a=045102",
    	year = 2014,
    	abstract = "The shape of the Ba 4d–4f giant dipole resonance is studied for Ba atoms embedded inside complex Si networks covering structures consisting of Si nanocages and nanotubes, i.e. the clathrate Ba 8 Si 46 , the complex compound BaSi 6 , and the semiconducting BaSi 2 . Here, non-resonant x-ray Raman scattering is used to investigate confinement effects on the shape of the giant resonance in the vicinity of the Ba N IV, V -edge. The distinct momentum transfer dependence of the spectra is analyzed and discussed. The measurements are compared to calculations of the giant resonance within time-dependent local density approximation in the dipole limit. No modulation of the giant resonance’s shape for Ba atoms confined in different local environments was observed, in contrast to the calculations. The absence of such shape modulation for complex Ba/Si compounds is discussed providing important implications for further studies of giant resonance phenomena utilizing both theory and experiment."
    }
    
  14. Ari-Pekka Honkanen, Roberto Verbeni, Laura Simonelli, Marco Moretti Sala, Giulio Monaco and Simo Huotari. Study on the reflectivity properties of spherically bent analyser crystals. Journal of Synchrotron Radiation 21(1):104–110, January 2014. URL, DOI BibTeX

    @article{Honkanen:hf5234,
    	author = "Honkanen, Ari-Pekka and Verbeni, Roberto and Simonelli, Laura and Moretti Sala, Marco and Monaco, Giulio and Huotari, Simo",
    	title = "{Study on the reflectivity properties of spherically bent analyser crystals}",
    	journal = "Journal of Synchrotron Radiation",
    	year = 2014,
    	volume = 21,
    	number = 1,
    	pages = "104--110",
    	month = "Jan",
    	doi = "10.1107/S160057751302242X",
    	url = "http://dx.doi.org/10.1107/S160057751302242X"
    }
    

2013

  1. Flyura Djurabekova, Avaz Ruzibaev, Eero Holmström, Stefan Parviainen and Mikko Hakala. Local changes of work function near rough features on Cu surfaces operated under high external electric field. Journal of Applied Physics 114(24):-, 2013. URL, DOI BibTeX

    @article{:/content/aip/journal/jap/114/24/10.1063/1.4856875,
    	author = {Djurabekova, Flyura and Ruzibaev, Avaz and Holmstr{\"o}m, Eero and Parviainen, Stefan and Hakala, Mikko},
    	title = "Local changes of work function near rough features on Cu surfaces operated under high external electric field",
    	journal = "Journal of Applied Physics",
    	year = 2013,
    	volume = 114,
    	number = 24,
    	eid = 243302,
    	pages = "-",
    	url = "http://scitation.aip.org/content/aip/journal/jap/114/24/10.1063/1.4856875",
    	doi = "http://dx.doi.org/10.1063/1.4856875"
    }
    
  2. Iina Juurinen, Tuomas Pylkkänen, Kari O Ruotsalainen, Christoph J Sahle, Giulio Monaco, Keijo Hämäläinen, Simo Huotari and Mikko Hakala. Saturation Behavior in X-ray Raman Scattering Spectra of Aqueous LiCl. The Journal of Physical Chemistry B 117(51):16506-16511, 2013. URL, DOI BibTeX

    @article{doi:10.1021/jp409528r,
    	author = {Juurinen, Iina and Pylkk{\"a}nen, Tuomas and Ruotsalainen, Kari O. and Sahle, Christoph J. and Monaco, Giulio and H{\"a}m{\"a}l{\"a}inen, Keijo and Huotari, Simo and Hakala, Mikko},
    	title = "Saturation Behavior in X-ray Raman Scattering Spectra of Aqueous LiCl",
    	journal = "The Journal of Physical Chemistry B",
    	volume = 117,
    	number = 51,
    	pages = "16506-16511",
    	year = 2013,
    	doi = "10.1021/jp409528r",
    	url = "http://pubs.acs.org/doi/abs/10.1021/jp409528r",
    	eprint = "http://pubs.acs.org/doi/pdf/10.1021/jp409528r"
    }
    
  3. Christoph J Sahle, Christian Sternemann, Christian Schmidt, Susi Lehtola, Sandro Jahn, Laura Simonelli, Simo Huotari, Mikko Hakala, Tuomas Pylkkänen, Alexander Nyrow, Kolja Mende, Metin Tolan, Keijo Hämäläinen and Max Wilke. Microscopic structure of water at elevated pressures and temperatures. Proceedings of the National Academy of Sciences 110(16):6301-6306, 2013. URL, DOI BibTeX

    @article{Sahle16042013,
    	author = "Sahle, Christoph J. and Sternemann, Christian and Schmidt, Christian and Lehtola, Susi and Jahn, Sandro and Simonelli, Laura and Huotari, Simo and Hakala, Mikko and Pylkkänen, Tuomas and Nyrow, Alexander and Mende, Kolja and Tolan, Metin and Hämäläinen, Keijo and Wilke, Max",
    	title = "Microscopic structure of water at elevated pressures and temperatures",
    	volume = 110,
    	number = 16,
    	pages = "6301-6306",
    	year = 2013,
    	doi = "10.1073/pnas.1220301110",
    	abstract = "We report on the microscopic structure of water at sub- and supercritical conditions studied using X-ray Raman spectroscopy, ab initio molecular dynamics simulations, and density functional theory. Systematic changes in the X-ray Raman spectra with increasing pressure and temperature are observed. Throughout the studied thermodynamic range, the experimental spectra can be interpreted with a structural model obtained from the molecular dynamics simulations. A spatial statistical analysis using Ripley’s K-function shows that this model is homogeneous on the nanometer length scale. According to the simulations, distortions of the hydrogen-bond network increase dramatically when temperature and pressure increase to the supercritical regime. In particular, the average number of hydrogen bonds per molecule decreases to ?0.6 at 600 °C and p = 134 MPa.",
    	url = "http://www.pnas.org/content/110/16/6301.abstract",
    	eprint = "http://www.pnas.org/content/110/16/6301.full.pdf+html",
    	journal = "Proceedings of the National Academy of Sciences"
    }
    
  4. J Inkinen, A Sakko, K O Ruotsalainen, T Pylkkänen, J Niskanen, S Galambosi, M Hakala, G Monaco, S Huotari and K Hämäläinen. Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure. Phys. Chem. Chem. Phys. 15:9231-9238, 2013. URL, DOI BibTeX

    @article{C3CP50512J,
    	author = "Inkinen, J. and Sakko, A. and Ruotsalainen, K. O. and Pylkkänen, T. and Niskanen, J. and Galambosi, S. and Hakala, M. and Monaco, G. and Huotari, S. and Hämäläinen, K.",
    	title = "Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure",
    	journal = "Phys. Chem. Chem. Phys.",
    	year = 2013,
    	volume = 15,
    	issue = 23,
    	pages = "9231-9238",
    	publisher = "The Royal Society of Chemistry",
    	doi = "10.1039/C3CP50512J",
    	url = "http://dx.doi.org/10.1039/C3CP50512J",
    	abstract = "We report a study on the temperature dependence of the core-electron excitation spectra of CO2 and N2{,} performed using non-resonant inelastic X-ray scattering spectroscopy. The spectra were measured at two temperatures (300 K and 850 K) and at high pressure (40 bar). For CO2 a clear temperature dependence was observed at the C and O near-edge regions. The spectra of CO2 were simulated by density functional theory calculations{,} and the temperature was accounted for by sampling the initial state molecular geometries using the Metropolis algorithm. This model is able to account for the experimentally observed temperature dependence of the spectrum. The experiment fortifies the status of the non-resonant inelastic X-ray scattering spectroscopy as a valuable technique for physics and chemistry for in situ studies under extreme sample conditions. Especially in the case of gas phase the sample conditions of considerably elevated temperature and pressure are unfeasible for many other spectroscopic techniques."
    }
    
  5. Susi Lehtola, Pekka Manninen, Mikko Hakala and Keijo Hämäläinen. Contraction of completeness-optimized basis sets: Application to ground-state electron momentum densities. The Journal of Chemical Physics 138(4):-, 2013. URL, DOI BibTeX

    @article{:/content/aip/journal/jcp/138/4/10.1063/1.4788635,
    	author = {Lehtola, Susi and Manninen, Pekka and Hakala, Mikko and H{\"a}m{\"a}l{\"a}inen, Keijo},
    	title = "Contraction of completeness-optimized basis sets: Application to ground-state electron momentum densities",
    	journal = "The Journal of Chemical Physics",
    	year = 2013,
    	volume = 138,
    	number = 4,
    	eid = 044109,
    	pages = "-",
    	url = "http://scitation.aip.org/content/aip/journal/jcp/138/4/10.1063/1.4788635",
    	doi = "http://dx.doi.org/10.1063/1.4788635"
    }
    
  6. A Mäkinen, J Niskanen, H Tikkala and H Aksela. Optical emission from a small scale model electric arc furnace in 250–600 nm region. Review of Scientific Instruments 84(4):043111, 2013. URL, DOI BibTeX

    @article{:/content/aip/journal/rsi/84/4/10.1063/1.4802833,
    	author = "Mäkinen, A. and Niskanen, J. and Tikkala, H. and Aksela, H.",
    	title = "Optical emission from a small scale model electric arc furnace in 250–600 nm region",
    	journal = "Review of Scientific Instruments",
    	year = 2013,
    	volume = 84,
    	number = 4,
    	pages = 043111,
    	url = "http://scitation.aip.org/content/aip/journal/rsi/84/4/10.1063/1.4802833",
    	doi = "http://dx.doi.org/10.1063/1.4802833"
    }
    

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