Publications for Lars Ojamäe
Co-author map based on ISI articles 2007-

Publications mentioned in social media 6 times*

Keywords

water sic sensors quantum-chemical p>the molecules liquid ir ice hydrogen gas functional energy energies electronic computations clusters cluster adsorption acid

Journal Articles

Yuan Liu and Lars Ojamäe
  Fingerprints in IR OH vibrational spectra of H2O clusters from different H-bond conformations by means of quantum-chemical computations
  Journal of Molecular Modeling, 2014, 20(6), 2281.
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Örjan Danielsson, Pitsiri Sukkaew, Lars Ojamäe, Olof Kordina and Erik Janzén
  Shortcomings of CVD modeling of SiC today
  Theoretical Chemistry accounts, 2013, 132(11), 1398.
 Web of Science® Times Cited: 3

Emil Kalered, Henrik Pedersen, Erik Janzén and Lars Ojamäe
  Adsorption and surface diffusion of silicon growth species in silicon carbide chemical vapour deposition processes studied by quantum-chemical computations
 
Altmetric usage: 1

  Theoretical Chemistry accounts, 2013, 132(12), .
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 Web of Science® Times Cited: 2

Henrik Pedersen, Ching-Chi Lin and Lars Ojamäe
  On the change of preferential growth orientation in chemical vapor deposition of titanium carbide by aromatic hydrocarbon precursors
  Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films, 2013, 31(2), .
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 Web of Science® Times Cited: 1

Zhafira Darmastuti, P. Bhattacharyya, Mike Andersson, Jayita Kanungo, Sukumar Basu, Per-Olov Käll, Lars Ojamäe and Anita Lloyd Spetz
  SiC-FET methanol sensors for process control and leakage detection
  Sensors and actuators. B, Chemical, 2013, 187(SI), 553-562.
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Mathias Kula and Lars Ojamäe
  A theoretical study of the electronic structure of GaN nanorods
  International Journal of Quantum Chemistry, 2012, 112(7), 1796-1802.
 Web of Science® Times Cited: 1

Annika Lenz, Anna Pohl, Lars Ojamäe and Petter Persson
  Computational study of the catalytic effect of platinum on the decomposition of DNT
  International Journal of Quantum Chemistry, 2012, 112(7), 1852-1858.
 Web of Science® Times Cited: 2

Jayita Kanungo, Mike Andersson, Zhafira Darmastuti, Sukumar Basu, Per-Olov Käll, Lars Ojamäe and Anita Lloyd Spetz
  Development of SiC-FET methanol sensor
  Sensors and actuators. B, Chemical, 2011, 160(1), 72-78.
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 Web of Science® Times Cited: 3

Annika Lenz, Hans Kariis, Anna Pohl, Petter Persson and Lars Ojamäe
  The electronic structure and reflectivity of PEDOT:PSS from density functional theory
  Chemical Physics, 2011, 384(03-jan), 44-51.
   Fulltext  PDF  
 Web of Science® Times Cited: 10

Annika Lenz and Lars Ojamäe
  Structures of the I-, II- and H-Methane Clathrates and the Ice−Methane Clathrate Phase Transition from Quantum-Chemical Modeling with Force-Field Thermal Corrections
  Journal of Physical Chemistry A, 2011, 115(23), 6169-6176.
 Web of Science® Times Cited: 7

C Huang, K T Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, M Niebuhr, T M Weiss, Y Horikawa, M Leetmaa, M P Ljungberg, O Takahashi, Annika Lenz, Lars Ojamäe, A P Lyubartsev, S Shin, L G M Pettersson and A Nilsson
  Letter: Reply to Soper et al.: Fluctuations in water around a bimodal distribution of local hydrogen-bonded structural motifs
  Proceedings of the National Academy of Sciences of the United States of America, 2010, 107(12), E45-E45.
 Web of Science® Times Cited: 24

Annika Lenz and Lars Ojamäe
  Computational studies of the stability of the (H2O)100 nanodrop
  Journal of Molecular Structure: THEOCHEM, 2010, 944(1-3), 163-167.
   Fulltext  PDF  
 Web of Science® Times Cited: 7

Annika Lenz, Linnea Selegård, Fredrik Söderlind, Arvid Larsson, Per-Olof Holtz, Kajsa Uvdal, Lars Ojamäe and Per-Olov Käll
  ZnO Nanoparticles Functionalized with Organic Acids: An Experimental and Quantum-Chemical Study
  The Journal of Physical Chemistry C, 2009, 113(40), 17332-17341.
 Web of Science® Times Cited: 22

Annika Lenz and Lars Ojamäe
  A theoretical study of water equilibria: The cluster distribution versus temperature and pressure for (H2O)n, n=1–60, and ice
  Journal of Chemical Physics, 2009, 131(13), 134302-134302-13.

C Huang, K T Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, M Niebuhr, T M Weiss, Y Horikawa, M Leetmaa, M P Ljungberg, O Takahashi, Annika Lenz, Lars Ojamäe, A P Lyubartsev, S Shin, L G M Pettersson and A Nilsson
  The inhomogeneous structure of water at ambient conditions
 
Altmetric usage: 5

  PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2009, 106(36), 15214-15218.
   Fulltext  PDF  
 Web of Science® Times Cited: 198

Annika Lenz, Maria Karlsson and Lars Ojamäe
  Quantum-chemical investigations of phenol and larger aromatic molecules at the TiO2 anatase (101) surface
  Journal of Physics, Conference Series, 2008, 117, 012020-(8 pp).
 Web of Science® Times Cited: 6

B. Brena and Lars Ojamäe
  Surface effects and quantum confinement in nanosized GaN clusters: Theoretical predictions
  The Journal of Physical Chemistry C, 2008, 112(35), 13516-13523.
 Web of Science® Times Cited: 15

Mattias Nilsing, Petter Persson, Sten Lunell and Lars Ojamäe
  Dye-sensitization of the TiO2 rutile (110) surface by perylene dyes: Quantum-chemical periodic B3LYP computations
  The Journal of Physical Chemistry C, 2007, 111(32), 12116-12123.
 Web of Science® Times Cited: 54

Lars Ojamäe
  Water and functionalized nanocrystals
  National Supercomputer Centre news, 2006, (2), .

Annika Lenz and Lars Ojamäe
  Theoretical IR spectra for water clusters (H2O)n (n = 6-22, 28, 30) and identification of spectral contributions from different H-Bond conformations in gaseous and liquid water
  Journal of Physical Chemistry A, 2006, 110(50), 13388-13393.
 Web of Science® Times Cited: 56

S Roy, Anette Salomonsson, Anita Lloyd-Spets, C Aulin, Per-Olov Käll, Lars Ojamäe, M Strand and M Sanati
  Metal oxide nanoparticles as novel gate materials for field-effect gas sensors
  Materials and Manufacturing Processes, 2006, 21, 275-278.
 Web of Science® Times Cited: 3

C Knight, SJ Singer, J-L Kuo, TK Hirsch, Lars Ojamäe and ML Klein
  Hydrogen bond topology and the ice VII/VIII and Ih/XI proton ordering phase transitions
  Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, 2006, 73, 056113-056113.

Annika Lenz and Lars Ojamäe
  On the stability of dense versus cage-shaped water clusters: quantum-chemical investigations of zero-point energies, free energies, basis-set effects and IR spectra of (H2O)12 and (H2O)20
  Chemical Physics Letters, 2006, 418, 361-367.
 Web of Science® Times Cited: 25

Lars Ojamäe, Christian Aulin, Henrik Pedersen and Per-Olov Käll
  IR and quantum-chemical studies of carboxylic acid and glycine adsorption on rutile TiO2 nanoparticles
  Journal of Colloid and Interface Science, 2006, 296(1), 71-78.
 Web of Science® Times Cited: 95

Henrik Pedersen and Lars Ojamäe
  Towards Biocompatibility of RE2O3 Nanocrystals − Water and Organic Molecules Chemisorbed on Gd2O3 and Y2O3 Nanocrystals Studied by Quantum-Chemical Computations
  Nano letters (Print), 2006, 6(9), 2004-2008.
 Web of Science® Times Cited: 14

M Cavalleri, LÅ Näslund, DC Edwards, Ph Wernet, H Ogasawara, S Myneni, Lars Ojamäe, M Odelius, A Nilsson and LGM Pettersson
  The local structure of protonated water from x-ray absorption and density functional theory
  Journal of Chemical Physics, 2006, 124, 194508-194508.
 Web of Science® Times Cited: 34

Anette Salomonsson, Rodrigo M. Petoral Jr., Kajsa Uvdal, Christian Aulin, Per-Olov Käll, Lars Ojamäe, Michael Strand, Mehri Sanati and Anita Lloyd Spetz
  Nanocrystalline Ruthenium oxide and Ruthenium in sensing applications -an experimental and theoretical study
  Journal of Nanoparticle Research, 2006, 8(6), 899-910.
 Web of Science® Times Cited: 17

M Nilsing, P Persson and Lars Ojamäe
  Anchor group influence on molecule-metal oxide interfaces: periodic hybrid DFT study of pyridine bound to TiO2 via carboxylic and phosphonic acid
  Chemical Physics Letters, 2005, 415, 375-380.
 Web of Science® Times Cited: 65

G Öhrwall, R.F. Flink, M. Tchaplyguine, Lars Ojamäe, M Lundwall, R.R.T. Marinbo, A Naves de Brito, S.L. Sorensen, M Gisselbrecht, R Feifel, T Rander, A Lindblad, J Schulz, K.J. Borve, L.J. Saethre, N Mårtensson, S Svensson and O Björneholm
  The electronic structure of free water clusters probed by Auger electron spectroscopy
  Journal of Chemical Physics, 2005, 123, 054310-054310.
 Web of Science® Times Cited: 45

A Nilsson, Ph Wernet, D Nordlund, U Bergmann, M Cavalleri, M Odelius, H Ogasawara, L.Å. Näslund, T.K. Hirsch, Lars Ojamäe, P Glatzel and L.G.M. Pettersson
  Comment on "energetics of hydrogen bond network rearrangements in liquid water": in Science / American Association for the Advancement of Science, vol 308, pg 793
  Science, 2005, 308(5723), 793-793.
 Web of Science® Times Cited: 78

Annika Lenz and Lars Ojamäe
  A theoretical study of water clusters: the relation between hydrogen-bond topology and interaction energy from quantum-chemical computations for clusters with up to 22 molecules
  Physical Chemistry, Chemical Physics - PCCP, 2005, 7, 1905-1911.
 Web of Science® Times Cited: 64

M Nilsing, S Lunell, P Persson and Lars Ojamäe
  Phosphonic acid adsorption at the TiO2 anatase (101) surface investigated by periodic hybrid HF-DFT computations,
  Surface Science, 2005, 582, 49-60.
 Web of Science® Times Cited: 96

S.J Singer, J-L Kuo, T.K Hirsch, C Knight, Lars Ojamäe and M.L. Klein
  Hydrogen-bond topology and the ice VII/VIII and ice Ih/XI proton-ordering phase transitions,
  Physical review letters / publ. by the American Physical Society, 2005, 94, 135701-135701.
 Web of Science® Times Cited: 50

Henrik Pedersen, Fredrik Söderlind, Rodrigo M. Petoral, Kajsa Uvdal, Per-Olov Käll and Lars Ojamäe
  Surface interactions between Y2O3 nanocrystals and organic molecules—an experimental and quantum-chemical study
  Surface Science, 2005, 592(1-3), 124-140.
 Web of Science® Times Cited: 24

Anette Salomonsson, Somenath Roy, Christian Aulin, Judith Cerdà, Per-Olov Käll, Lars Ojamäe, Michael Strand, Mehri Sanati and Anita Lloyd Spetz
  Nanoparticles for long-term stable, more selective MISiCFET gas sensors
  Sensors and Actuators B, 2005, 107(2), 831-838.
 Web of Science® Times Cited: 15

T.K. Hirsch and Lars Ojamäe
  An investigation of H-atom positions in sulfuric acid crystal structures
  Acta Crystallographica Section B: Structural Science, 2004, 60(2), 179-183.
 Web of Science® Times Cited: 4

Ph. Wernet, D. Nordlund, U. Bergmann, M. Cavalleri, N. Odelius, H. Ogasawara, L.A. Naslund, T.K. Hirsch, Lars Ojamäe, P. Glatzel, L.G.M. Pettersson and A. Nilsson
  The Structure of the First Coordination Shell in Liquid Water
  Science, 2004, 304(5673), 995-999.
 Web of Science® Times Cited: 671

T.K. Hirsch and Lars Ojamäe
  Quantum-chemical and force-field investigations of ice Ih: Computation of proton-ordered structures and prediction of their lattice energies
  Journal of Physical Chemistry B, 2004, 108(40), 15856-15864.
 Web of Science® Times Cited: 46

J.-L. Kuo, C.V. Ciobanu, Lars Ojamäe, I. Shavitt and S.J. Singer
  Short H-bonds and spontaneous self-dissociation in (H2O)20: Effects of H-bond topology
  Journal of Chemical Physics, 2003, 118(8), 3583-3588.
 Web of Science® Times Cited: 64

X. Huang, H.M. Cho, S. Carter, Lars Ojamäe, J.M. Bowman and S.J. Singer
  Full dimensional quantum calculations of vibrational energies of H5O2+
  Journal of Physical Chemistry A, 2003, 107(37), 7142-7151.
 Web of Science® Times Cited: 29

Karin Westermark, Håkan Rensmo, Hans Siegbahn, Karin Keis, Anders Hagfeldt, Lars Ojamäe and Petter Persson
  PES Studies of Ru(dcbpyH2)2(NCS)2 Adsorption on Nanostructured ZnO for Solar Cell Applications
  Journal of Physical Chemistry B, 2002, 106(39), 10102-10107.

S. Myneni, Y Luo, L. Å. Näslund, M. Cavalleri, L. Ojamäe, H Ogasawara, A. Pelmenschikov, Ph. Wernet, C. Heske, Z Hussain, L. G. M. Pettersson and A. Nilsson
  Spectroscopic probing of local hydrogen-bonding structures in liquid water
  Journal of Physics: Condensed Matter, 2002, 14(8), L213-L219.

A. Flemström, T. K. Hirsch, L. Sehlstedt, S. Lidin and L. Ojamäe
  Effects from hydrogen bonds on water structure in (H3O)2[Mo6Cl8X6yH2O X=Cl (y=7), Br (y=6), or I (y=6)
  Solid State Sciences, 2002, 4(8), 1017-1022.

P Persson, S Lunell and Lars Ojamäe
  Quantum chemical prediction of the adsorption conformations and dynamics at HCOOH-covered ZnO(10(1)over-bar-0) surfaces
  International Journal of Quantum Chemistry, 2002, 89(3), 172-180.
 Web of Science® Times Cited: 30

P. Persson, S. Lunell and Lars Ojamäe
  Electronic interactions between aromatic adsorbates and metal oxide substrates calculated from first principles
  Chemical Physics Letters, 2002, 364(5-6), 469-474.
 Web of Science® Times Cited: 48

Jer-Lai Kuo, James V. Coe, Sherwin J. Singer, Yehuda B. Band and Lars Ojamäe
  On the use of graph invariants for efficiently generating hydrogen bond topologies and predicting physical properties of water clusters and ice
  Journal of Chemical Physics, 2001, 114(6), 2527-2540.

Lars G. M. Pettersson, Anders Nilsson, Satish Myneni, Yi Luo, Mats Nyberg, Matteo Cavalleri, Lars Ojamäe, Lars-Åke Näslund, Hirohito Ogasawara, Michael Odelius and Alexander Pelmenschikov
  Electronic structure effects from hydrogen bonding in the liquid phase and in chemisorption: an integrated theory and experimental effort
  Journal of Synchrotron Radiation, 2001, 8(2), 136-140.

Chapters in Books

Anita Lloyd Spetz, Magnus Skoglundh and Lars Ojamäe
  FET sensors gas sensing mechanism, experimental and theoretical studies
  Solid State Gas Sensing: Fundamentals and new trends in gas sensing, Springer, 2009, 153-(27pp).


Petter Persson, Robert Bergström, Lars Ojamäe and Sten Lunell
  Quantum-chemical studies of metal oxides for photoelectrochemical applications
  Advances in quantum chemistry.: Volume 41, A tribute to the life and work of Per-Olov Löwdin, Elsevier Science, 2002, 203-263.


Conference Articles

Pitsiri Sukkaew, Lars Ojamäe, Örjan Danielsson, Olle Kordina and Erik Janzén
  Revisiting the Thermochemical Database of Si-C-H System Related to SiC CVD Modeling
  SILICON CARBIDE AND RELATED MATERIALS 2013, PTS 1 AND 2, 2014.


Zhafira Darmastuti, Partha Bhattacharyya, Sukumar Basu, Per-Olov Käll, Lars Ojamäe and Anita Lloyd Spetz
  SiC - FET Sensors for methanol leakage detection
  Proceeding of the 14th International Meeting on Chemical Sensors (IMCS 2012), 2012.


Zhafira Darmastuti, Mike Andersson, Lars Ojamäe, Anita Lloyd Spetz, Mikael Larsson and Niclas Lindqvist
  SiC based field effect transistor for H2S detection
  Proc. IEEE Sensors 2011, Limerick, Ireland, October 28-31, 2011.


Kristina Buchholt, E. Ieva, Per-Olov Käll, Lars Ojamäe, L. Torsi, D. Lutic, M Strand, M. Sanati and Anita Lloyd Spetz
  FET devices with gold nanoparticle gate material as nitrogen oxide gas sensors
  E-MRS 2006,2006, 2006.


Anita Lloyd-Spets, Anette Salomonsson, Lars Ojamäe, Per-Olov Käll, M. Strand, J. Einvall and C. Aulin
  Nanoparticles as sensing material for selective and stable SiC-FET gas sensor
  Proc. European Aerosol Conference 2005,2006, 2006.


S. J. Singer, C. J. Knight, J. L. Kuo, T. K. Hirsch, L. Ojamäe and M. L. Klein
  Hydrogen bond topology and proton ordering phase transitions in ice
  , 2005.


D. Lutic, M. Strand, Anette Salomonsson, Lars Ojamäe, Per-Olov Käll, Anita Lloyd-Spets and M. Sanati
  In2O3 particle films as gate material for MISiC-capacitor sensors
  NOSA 2005,2005, 2005.


M. Strand, Anette Salomonsson, J. Einvall, C. Aulin, Lars Ojamäe, Per-Olov Käll, Anita Lloyd-Spets and M. Sanati
  Nanoparticles as sensing material for selective and stable SiC-FET gas sensor
  European Aerosol Conference 2005,2005, 2005.


Anette Salomonsson, S Roy, C Aulin, Lars Ojamäe, Per-Olov Käll, M Strand, M Sanati and Anita Lloyd-Spets
  RuO2 and Ru nanoparticles for MISiCFET gas sensors
  Nanotech NSTI 2005,2005, 2005.


Anette Salomonsson, Somenath Roy, Christian Aulin, Lars Ojamäe, Per-Olov Käll, Michael Strand, Mehri Sanati and Anita Lloyd Spetz
  Ruthenium dioxide & Ru Nanoparticles for MISiCFET gas sensors
  Nanotech 2005 (NSTI) Anaheim, USA, 8-12 May, 2005.


J. L. Kuo, M. L. Klein, S. J. Singer and L. Ojamäe
  Ice lh-Ice XI phase transition: A quantum mechanical study
  , 2004.


Per-Olov Käll, Lars Ojamäe, Henrik Pedersen, Fredrik Söderlind, Rodrigo Jr Petoral, Kajsa Uvdal, H. Zhang and X. Zouc
  Synthesis, Characterisation and Molecular Functionalisation of Gd2O3 Nanocrystals
  NAN:-8,2004, 2004.


Ph.D. Theses

Zhafira Darmastuti
  SiC-FET Gas Sensors Developed for Control of the Flue Gas Desulfurization System in Power Plants Experimental and Modeling: Experimental and Modeling
  2014.


  Fulltext PDF

Annika Lenz
  Theoretical Investigations of Water Clusters, Ice Clathrates and Functionalized Nanoparticles
  2009.


  Fulltext PDF

Licentiate Theses

Zhafira Darmastuti
  SiCFET gassensors: theory, developent, and applications to flue gas cleaning processes  in power plants
  2012.


* Social media data based on publications from 2011 to present and with a DOI; data delivered by Altmetric.com.