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Research presentation

Håkan Hugosson

Håkan Hugosson, universitetslektor i fysik.

Research presentation

Håkan Hugosson

Senior lecturer, docent

Research subject: Physics




Scholarly articles, refereed

Råsander, M., Hugosson, H. & Delin, A. (2018). Density functional study of carbon vacancies in titanium carbide. Journal of Physics : Condensed Matter, 30 (1). 10.1088/1361-648X/aa9979 [More information]
Elgammal, K., Hugosson, H., Smith, A., Råsander, M., Bergqvist, L. & Delin, A. (2017). Density functional calculations of graphene-based humidity and carbon dioxide sensors: effect of silica and sapphire substrates. Surface Science, 663, 23-30. 10.1016/j.susc.2017.04.009 [More information]
Mirsakiyeva, A., Hugosson, H., Crispin, X. & Delin, A. (2017). Quantum Molecular Dynamical Calculations of PEDOT 12-Oligomer and its Selenium and Tellurium Derivatives. Journal of Electronic Materials, 46 (5), 3071-3075. 10.1007/s11664-016-5161-6 [More information]
Mirsakiyeva, A., Hugosson, H., Linares, M. & Delin, A. (2017). Temperature dependence of band gaps and conformational disorder in PEDOT and its selenium and tellurium derivatives : Density functional calculations. Journal of Chemical Physics, 147 (13). 10.1063/1.4998509 [More information]
Mirsakiyeva, A., Botkina, D., Elgammal, K., Ten, A., Hugosson, H., Delin, A. & Yu, V. (2016). Experimental and density functional theory studies of some novel piperidine-containing acetylene glycols. ARKIVOC, 86-99. 10.3998/ark.5550190.p009.452 [More information]
Smith, A., Elgammal, K., Niklaus, F., Delin, A., Fischer, A., Vaziri, S., Forsberg, F., Råsander, M., Hugosson, H., Bergqvist, L., Schröder, S., Kataria, S., Östling, M. & Lemme, M. (2015). Resistive graphene humidity sensors with rapid and direct electrical readout. Nanoscale, 7 (45), 19099-19109. 10.1039/c5nr06038a [More information]
Hugosson, H., Cao, W., Seetharaman, S. & Delin, A. (2013). Sulfur- and Oxygen-Induced Alterations of the Iron (001) Surface Magnetism and Work Function: A Theoretical Study. The Journal of Physical Chemistry C, 117 (12), 6161-6171. 10.1021/jp3102496 [More information]
de Almeida, K., Murugan, N., Rinkevicius, Z., Hugosson, H., Vahtras, O., Ågren, H. & Cesar, A. (2009). Conformations, structural transitions and visible near-infrared absorption spectra of four-, five- and six-coordinated Cu(ii) aqua complexes. Physical Chemistry, Chemical Physics - PCCP, 11 (3), 508-519. 10.1039/b806423g [More information]
Mattesini, M., Ahuja, R., Sa, L., Hugosson, H., Johansson, B. & Eriksson, O. (2009). Electronic structure and optical properties of solid C60. Physica. B, Condensed matter, 404 (12-13), 1776-1780. 10.1016/j.physb.2009.02.030 [More information]
Murugan, N. & Hugosson, H. (2009). Solvent Dependence of Conformational Distribution, Molecular Geometry, and Electronic Structure in Adenosine. Journal of Physical Chemistry B, 113 (4), 1012-1021. 10.1021/jp803058g [More information]
Murugan, N. & Hugosson, H. (2008). Investigations into conformational transitions and solvation structure of a 7-piperidino-5,9-methanobenzo[8] annulene in water. Physical Chemistry, Chemical Physics - PCCP, 10 (40), 6135-6135. 10.1039/b805505j [More information]
Schyman, P., Laaksonen, A. & Hugosson, H. (2008). Phosphodiester bond rupture in 5′ and 3′ cytosine monophosphate in aqueous environment and the effect of low-energy electron attachment: A Car–Parrinello QM/MM molecular dynamics study. Chemical Physics Letters, 462 (4-6), 289-294. 10.1016/j.cplett.2008.07.106 [More information]
Murugan, N., Hugosson, H. & Ågren, H. (2008). Solvent Dependence on Conformational Transition, Dipole Moment, and Molecular Geometry of 1,2-Dichloroethane: Insight from Car−Parrinello Molecular Dynamics Calculations. Journal of Physical Chemistry B, 112 (47), 14673-14677. 10.1021/jp8075029 [More information]
Maurer, P., Laio, A., Hugosson, H., Colombo, M. & Rothlisberger, U. (2007). Automated Parametrization of Biomolecular Force Fields from Quantum Mechanics/Molecular Mechanics (QM/MM) Simulations through Force Matching. Journal of Chemical Theory and Computation, 3 (2), 628-639. 10.1021/ct600284f [More information]
de Almeida, K., Rinkevicius, Z., Hugosson, H., Ferreira, A. & Ågren, H. (2007). Modeling of EPR parameters of copper(II) aqua complexes. Chemical Physics, 332 (2-3), 176-187. 10.1016/j.chemphys.2006.11.015 [More information]
Hugosson, H., Laio, A., Maurer, P. & Rothlisberger, U. (2006). A comparative theoretical study of dipeptide solvation in water. Journal of Computational Chemistry, 27 (5), 672-684. 10.1002/jcc.20360 [More information]
Joelsson, T., Hultman, L., Hugosson, H. & Molina-Aldareguia, J. (2005). Phase stability tuning in the NbxZr1−xN thin-film system for large stacking fault density and enhanced mechanical strength. Applied Physics Letters, 86 (13). 10.1063/1.1884743 [More information]
Hugosson, H., Eriksson, O., Jansson, U. & Abrikosov, I. (2005). Surface segregation of transition metal impurities on the TiC(100) surface. Surface Science, 585 (1-2), 101-107. 10.1016/j.susc.2005.04.010 [More information]
Hugosson, H., Eriksson, O., Jansson, U., Ruban, A., Souvatzis, P. & Abrikosov, I. (2004). Surface energies and work functions of the transition metal carbides. Surface Science, 557 (1-3), 243-254. 10.1016/j.susc.2004.03.050 [More information]
Hugosson, H. & Engqvist, H. (2003). The connection between the electronic structure and the properties of binderless tungsten carbides. International journal of refractory metals & hard materials, 21 (1-2), 55-61. 10.1016/s0263-4368(03)00012-x [More information]
Hugosson, H., Högberg, H., Algren, M., Rodmar, M. & Selinder, T. (2003). Theory of the effects of substitutions on the phase stabilities of Ti1−xAlxN. Journal of Applied Physics, 93 (8), 4505-4511. 10.1063/1.1557779 [More information]
Korzhavyi, P., Pourovskii, L., Hugosson, H., Ruban, A. & Johansson, B. (2002). <em>Ab Initio </em>Study of Phase Equilibria in TiC<sub><em>x</em></sub><em></em><em></em>. Physical Review Letters, 88 (1), 015505-1-01505-4. 10.1103/PhysRevLett.88.015505 [More information]
Hugosson, H., Grechnev, G., Ahuja, R., Helmersson, U., Sa, L. & Eriksson, O. (2002). Stabilization of potential superhard RuO2 phases: A theoretical study. Physical Review B Condensed Matter, 66 (17). 10.1103/physrevb.66.174111 [More information]
Hugosson, H., Eriksson, O., Jansson, U. & Johansson, B. (2001). Phase stabilities and homogeneity ranges in 4d-transition-metal carbides: A theoretical study. Physical Review B Condensed Matter, 63 (13). 10.1103/physrevb.63.134108 [More information]
Hugosson, H., Korzhavyi, P., Jansson, U., Johansson, B. & Eriksson, O. (2001). Phase stabilities and structural relaxations in substoichiometric TiC1−x. Physical Review B Condensed Matter, 63 (16). 10.1103/physrevb.63.165116 [More information]
Hugosson, H., Jansson, U., Johansson, B. & Eriksson, O. (2001). Phase stability diagrams of transition metal carbides, a theoretical study. Chemical Physics Letters, 333 (6), 444-450. 10.1016/s0009-2614(00)01414-7 [More information]
Hugosson, H., Jansson, U., Johansson, B. & Eriksson, O. (2001). Restricting Dislocation Movement in Transition Metal Carbides by Phase Stability Tuning. Science, 293 (5539), 2434-2437. 10.1126/science.1060512 [More information]
Lu, J., Hugosson, H., Eriksson, O., Nordström, L. & Jansson, U. (2000). Chemical vapour deposition of molybdenum carbides: aspects of phase stability. Thin Solid Films, 370 (1-2), 203-212. 10.1016/s0040-6090(00)00750-1 [More information]
Grechnev, G., Hugosson, H., Ahuja, R. & Eriksson, O. (2000). Structural Evolution and Hardness of Transition Metal Dioxides at High Pressure. High Pressure Physics and Technology, 10 (38). [More information]
Hugosson, H., Nordström, L., Jansson, U., Johansson, B. & Eriksson, O. (1999). Theoretical studies of substitutional impurities in molybdenum carbide. Physical Review B Condensed Matter, 60 (22), 15123-15130. 10.1103/PhysRevB.60.15123 [More information]
Hugosson, H., Eriksson, O., Nordström, L., Jansson, U., Fast, L., Delin, A., Wills, J. & Johansson, B. (1999). Theory of phase stabilities and bonding mechanisms in stoichiometric and substoichiometric molybdenum carbide. Journal of Applied Physics, 86 (7), 3758-3767. 10.1063/1.371284 [More information]

Book chapters

Hugosson, H. & Ågren, H. (2009). Quantum Mechanical / Molecular Mechanical Modeling of Biological Systems. Multiscale Modeling and Simulation in Science. Springer. P. 291-294. [More information]
Hugosson, H. (2000). Theoretical Studies of Vacancies and Impurities in Molybdenum. Frontiers in Interdisciplinary Physics. IAPS Press. [More information]

Conference papers

Mirsakiyeva, A., Delin, A. & Hugosson, H. (2015). Quantum Molecular Dynamics Studies of Thermoelectric Polymer Systems. . [More information]
Hugosson, H., Johansson, B. & Eriksson, O. (1999). Theoretical Studies of Sub-Stoichiometric MoC(1-x). Proceedings of the International Conference on Solid-Solid Phase Transformations '99. [More information]


Hugosson, H. (2000). A surface coating. . [More information]
Published by: Camilla Haglund Page responsible: Gunilla Mårtensson Updated: 2022-11-10
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