Hannu-Pekka Komsa

  • Otakaari 1, 02150 Espoo

20122020

Research output per year

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Research Output

  • 51 Article
  • 1 Chapter
  • 1 Conference contribution
  • 1 Other contribution

Alkali Postdeposition Treatment-Induced Changes of the Chemical and Electronic Structure of Cu(In,Ga)Se2 Thin-Film Solar Cell Absorbers: A First-Principle Perspective

Malitckaya, M., Kunze, T., Komsa, H. P., Havu, V., Handick, E., Wilks, R. G., Bär, M. & Puska, M. J., 23 Jan 2019, In : ACS Applied Materials and Interfaces. 11, 3, p. 3024-3033 10 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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5 Citations (Scopus)
117 Downloads (Pure)

Atomic Defects and Doping of Monolayer NbSe2

Nguyen, L., Komsa, H. P., Khestanova, E., Kashtiban, R. J., Peters, J. J. P., Lawlor, S., Sanchez, A. M., Sloan, J., Gorbachev, R. V., Grigorieva, I. V., Krasheninnikov, A. V. & Haigh, S. J., 28 Mar 2017, In : ACS Nano. 11, 3, p. 2894-2904 11 p.

Research output: Contribution to journalArticleScientificpeer-review

24 Citations (Scopus)

Atomic Scale Microstructure and Properties of Se-Deficient Two-Dimensional MoSe2

Lehtinen, O., Komsa, H-P., Pulkin, A., Whitwick, M. B., Chen, M-W., Lehnert, T., Mohn, M., Yazyev, O. V., Kis, A., Kaiser, U. & Krasheninnikov, A. V., 2015, In : ACS Nano. 9, 3, p. 3274-3283

Research output: Contribution to journalArticleScientificpeer-review

126 Citations (Scopus)

Atomic structure and dynamic behaviour of truly one-dimensional ionic chains inside carbon nanotubes

Senga, R., Komsa, H-P., Liu, Z., Hirose-Takai, K., Krasheninnikov, A. V. & Suenaga, K., 2014, In : Nature Materials. 13, p. 1050-1054

Research output: Contribution to journalArticleScientificpeer-review

Band Bending and Valence Band Quantization at Line Defects in MoS2

Murray, C., van Efferen, C., Jolie, W., Fischer, J. A., Hall, J., Rosch, A., Krasheninnikov, A. V., Komsa, H. P. & Michely, T., 28 Jul 2020, In : ACS Nano. 14, 7, p. 9176-9187 12 p.

Research output: Contribution to journalArticleScientificpeer-review

Binding energies of exciton complexes in transition metal dichalcogenide monolayers and effect of dielectric environment

Kylänpää, I. & Komsa, H-P., 2015, In : Physical Review B. 92, 20, p. 1-6 205418.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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117 Citations (Scopus)
183 Downloads (Pure)

Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials

Komsa, H-P., Berseneva, N., Krasheninnikov, A. V. & Nieminen, R. M., 2014, In : Physical Review X. 4, 3, p. 1-7 031044.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File
65 Citations (Scopus)
24 Downloads (Pure)

Effect of Alkali Metal Atom Doping on the CuInSe2-Based Solar Cell Absorber

Malitckaya, M., Komsa, H. P., Havu, V. & Puska, M. J., 27 Jul 2017, In : Journal of Physical Chemistry C. 121, 29, p. 15516-15528 13 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File
56 Citations (Scopus)
147 Downloads (Pure)

Effects of confinement and environment on the electronic structure and exciton binding energy of MoS2 from first principles

Komsa, H-P. & Krasheninnikov, A. V., 2012, In : Physical Review B. 86, p. 241201

Research output: Contribution to journalArticleScientificpeer-review

408 Citations (Scopus)

Efficient method for calculating Raman spectra of solids with impurities and alloys and its application to two-dimensional transition metal dichalcogenides

Hashemi, A., Krasheninnikov, A. V., Puska, M. & Komsa, H. P., 28 Feb 2019, In : Physical Review Materials. 3, 2, p. 1-13 023806.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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2 Citations (Scopus)
166 Downloads (Pure)

Electron-beam induced transformations of layered tin dichalcogenides

Sutter, E., Huang, Y., Komsa, H. P., Ghorbani-Asl, M., Krasheninnikov, A. V. & Sutter, P., 13 Jul 2016, In : Nano Letters. 16, 7, p. 4410-4416 7 p.

Research output: Contribution to journalArticleScientificpeer-review

54 Citations (Scopus)

Electronic and magnetic characterization of epitaxial VSe2 monolayers on superconducting NbSe2

Kezilebieke, S., Huda, M. N., Dreher, P., Manninen, I., Zhou, Y., Sainio, J., Mansell, R., Ugeda, M. M., van Dijken, S., Komsa, H. P. & Liljeroth, P., 1 Dec 2020, In : Communications physics. 3, 1, p. 1-8 8 p., 116.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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10 Downloads (Pure)

Electronic structures and optical properties of realistic transition metal dichalcogenide heterostructures from first principles

Komsa, H-P. & Krasheninnikov, A. V., 2013, In : Physical Review B. 88, 8, 085318.

Research output: Contribution to journalArticleScientificpeer-review

291 Citations (Scopus)

Engineering the Electronic Properties of Two-Dimensional Transition Metal Dichalcogenides by Introducing Mirror Twin Boundaries

Komsa, H. P. & Krasheninnikov, A. V., 2017, In : Advanced Electronic Materials. 3, 6, p. 1-10 1600468.

Research output: Contribution to journalArticleScientificpeer-review

31 Citations (Scopus)

Erratum: Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials [Phys. Rev. X 4, 031044 (2014)]

Komsa, H-P., Berseneva, N., Krasheninnikov, A. V. & Nieminen, R. M., 16 Aug 2018, 3 p.

Research output: Other contributionScientificpeer-review

Open Access
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89 Downloads (Pure)

Experimental Observation of Boron-Nitride Chains

Cretu, O., Komsa, H-P., Lehtinen, O., Algara-Siller, G., Kaiser, U., Suenaga, K. & Krasheninnikov, A. V., 2014, In : ACS Nano. 8, p. 11950-11957

Research output: Contribution to journalArticleScientificpeer-review

48 Citations (Scopus)

Fabrication and atomic structure of size-selected, layered MoS2 clusters for catalysis

Cuddy, M. J., Arkill, K. P., Wang, Z. W., Komsa, H-P., Krasheninnikov, A. V. & Palmer, R. E., 2014, In : Nanoscale. 6, p. 12463-12469

Research output: Contribution to journalArticleScientificpeer-review

25 Citations (Scopus)

First-principles modeling of alkali metal post deposition treatment effects in CIGS solar cells

Fedina, M., Komsa, H-P., Havu, V. & Puska, M. J., 2017, 2017 IEEE 44TH PHOTOVOLTAIC SPECIALIST CONFERENCE (PVSC). IEEE, p. 2070-2072 3 p. (IEEE Photovoltaic Specialists Conference).

Research output: Chapter in Book/Report/Conference proceedingConference contributionScientificpeer-review

First-Principles Modeling of Point Defects and Complexes in Thin-Film Solar-Cell Absorber CuInSe2

Malitckaya, M., Komsa, H. P., Havu, V. & Puska, M. J., 1 Jun 2017, In : Advanced Electronic Materials. 3, 6, p. 1-9 1600353.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File
18 Citations (Scopus)
110 Downloads (Pure)

From point to extended defects in two-dimensional MoS2: Evolution of the atomic structre under electron irradiation

Komsa, H-P., Kurasch, S., Lehtinen, O., Kaiser, U. & Krasheninnikov, A. V., 2013, In : Physical Review B. 88

Research output: Contribution to journalArticleScientificpeer-review

266 Citations (Scopus)

From Point to Line Defects in Two-Dimensional Transition Metal Dichalcogenides: Insights from Transmission Electron Microscopy and First-Principles Calculations

Komsa, H. P. & Krasheninnikov, A. V., 2017, GraphITA : Selected papers from the Workshop on Synthesis, Characterization and Technological Exploitation of Graphene and 2D Materials Beyond Graphene. p. 71-85 15 p. (Carbon Nanostructures).

Research output: Chapter in Book/Report/Conference proceedingChapterScientificpeer-review

1 Citation (Scopus)

Heavy Alkali Treatment of Cu(In,Ga)Se2 Solar Cells: Surface versus Bulk Effects

Siebentritt, S., Avancini, E., Bär, M., Bombsch, J., Bourgeois, E., Buecheler, S., Carron, R., Castro, C., Duguay, S., Félix, R., Handick, E., Hariskos, D., Havu, V., Jackson, P., Komsa, H. P., Kunze, T., Malitckaya, M., Menozzi, R., Nesladek, M., Nicoara, N. & 13 others, Puska, M., Raghuwanshi, M., Pareige, P., Sadewasser, S., Sozzi, G., Tiwari, A. N., Ueda, S., Vilalta-Clemente, A., Weiss, T. P., Werner, F., Wilks, R. G., Witte, W. & Wolter, M. H., 1 Jan 2020, In : Advanced Energy Materials. p. 1-15 15 p., 1903752.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
10 Citations (Scopus)

Hydrogen-assisted post-growth substitution of tellurium into molybdenum disulfide monolayers with tunable compositions

Yin, G., Zhu, D., Lv, D., Hashemi, A., Fei, Z., Lin, F., Krasheninnikov, A. V., Zhang, Z., Komsa, H. P. & Jin, C., 16 Feb 2018, In : Nanotechnology. 29, 14, 145603.

Research output: Contribution to journalArticleScientificpeer-review

4 Citations (Scopus)

Layer Rotation-Angle-Dependent Excitonic Absorption in van der Waals Heterostructures Revealed by Electron Energy Loss Spectroscopy

Gogoi, P. K., Lin, Y. C., Senga, R., Komsa, H. P., Wong, S. L., Chi, D., Krasheninnikov, A. V., Li, L. J., Breese, M. B. H., Pennycook, S. J., Wee, A. T. S. & Suenaga, K., 27 Aug 2019, In : ACS Nano. 13, 8, p. 9541-9550

Research output: Contribution to journalArticleScientificpeer-review

Local vibrational modes of Si vacancy spin qubits in SiC

Shang, Z., Hashemi, A., Berencen, Y., Komsa, H-P., Erhart, P., Zhou, S., Helm, M., Krasheninnikov, A. & Astakhov, G., 30 Apr 2020, In : Physical Review B. 101, 14, 9 p., 144109.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File
1 Citation (Scopus)
116 Downloads (Pure)

Luminescence of defects in the structural transformation of layered tin dichalcogenides

Sutter, P., Komsa, H. P., Krasheninnikov, A. V., Huang, Y. & Sutter, E., 25 Dec 2017, In : Applied Physics Letters. 111, 26, p. 1-5 262102.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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10 Citations (Scopus)
119 Downloads (Pure)

Metallic Twin Boundaries Boost the Hydrogen Evolution Reaction on the Basal Plane of Molybdenum Selenotellurides

Kosmala, T., Coy Diaz, H., Komsa, H. P., Ma, Y., Krasheninnikov, A. V., Batzill, M. & Agnoli, S., Jul 2018, In : Advanced Energy Materials. 8, 20, 1800031.

Research output: Contribution to journalArticleScientificpeer-review

26 Citations (Scopus)

Native defects in bulk and monolayer MoS2 from first principles

Komsa, H-P. & Krasheninnikov, A. V., 2015, In : Physical Review B. 91, 12, p. 1-17 125304.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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256 Citations (Scopus)
192 Downloads (Pure)

Niobium doping induced mirror twin boundaries in MBE grown WSe2 monolayers

Wang, B., Xia, Y., Zhang, J., Komsa, H. P., Xie, M., Peng, Y. & Jin, C., 1 Jan 2020, In : Nano Research.

Research output: Contribution to journalArticleScientificpeer-review

Optical study of local strain related disordering in CVD-grown MoSe2 monolayers

Krustok, J., Raadik, T., Jaaniso, R., Kiisk, V., Sildos, I., Marandi, M., Komsa, H-P., Li, B., Zhang, X., Gong, Y. & Ajayan, P. M., Dec 2016, In : Applied Physics Letters. 109, 25, p. 1-5 5 p., 253106.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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13 Citations (Scopus)
100 Downloads (Pure)

Optical Waveplates Based on Birefringence of Anisotropic Two-Dimensional Layered Materials

Yang, H., Jussila, H., Autere, A., Komsa, H. P., Ye, G., Chen, X., Hasan, T. & Sun, Z., 20 Dec 2017, In : ACS Photonics. 4, 12, p. 3023-3030 8 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
62 Citations (Scopus)

PH-Dependent Distribution of Functional Groups on Titanium-Based MXenes

Ibragimova, R., Puska, M. J. & Komsa, H. P., 1 Jan 2019, In : ACS Nano. 13, 8, p. 9171−9181

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File
8 Citations (Scopus)
140 Downloads (Pure)

Phonons and excitons in ZrSe2-ZrS2 alloys

Oliver, S. M., Fox, J. J., Hashemi, A., Singh, A., Cavalero, R. L., Yee, S., Snyder, D. W., Jaramillo, R., Komsa, H-P. & Vora, P. M., 7 May 2020, In : Journal of Materials Chemistry C. 8, 17, p. 5732-5743 12 p.

Research output: Contribution to journalArticleScientificpeer-review

File
2 Downloads (Pure)

Phosphorene under electron beam: From monolayer to one-dimensional chains

Vierimaa, V., Krasheninnikov, A. V. & Komsa, H. P., 21 Apr 2016, In : Nanoscale. 8, 15, p. 7949-7957 9 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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26 Citations (Scopus)
277 Downloads (Pure)

Photoluminescence Study of B-Trions in MoS2 Monolayers with High Density of Defects

Kaupmees, R., Komsa, H. P. & Krustok, J., Mar 2019, In : Physica Status Solidi. B: Basic Research. 256, 3, p. 1-5 1800384.

Research output: Contribution to journalArticleScientificpeer-review

1 Citation (Scopus)

Post-Synthesis Modifications of Two-Dimensional MoSe2 or MoTe2 by Incorporation of Excess Metal Atoms into the Crystal Structure

Coelho, P. M., Komsa, H. P., Coy Diaz, H., Ma, Y., Krasheninnikov, A. V. & Batzill, M., 24 Apr 2018, In : ACS Nano. 12, 4, p. 3975-3984 10 p.

Research output: Contribution to journalArticleScientificpeer-review

19 Citations (Scopus)

Properties of Individual Dopant Atoms in Single-Layer MoS2: Atomic Structure, Migration, and Enhanced Reactivity

Lin, Y-C., Dumcenco, D. O., Komsa, H-P., Niimi, Y., Krasheninnikov, A. V., Huang, Y-S. & Suenaga, K., 2014, In : Advanced Materials. 26, p. 2857-2861

Research output: Contribution to journalArticleScientificpeer-review

183 Citations (Scopus)

Revealing the Atomic Defects of WS2 Governing Its Distinct Optical Emissions

Lin, Y. C., Li, S., Komsa, H. P., Chang, L. J., Krasheninnikov, A. V., Eda, G. & Suenaga, K., 2018, In : Advanced Functional Materials. 28, 4, p. 1-8 1704210 .

Research output: Contribution to journalArticleScientificpeer-review

25 Citations (Scopus)

Room-Temperature Ferromagnetism in MoTe 2 by Post-Growth Incorporation of Vanadium Impurities

Coelho, P. M., Komsa, H. P., Lasek, K., Kalappattil, V., Karthikeyan, J., Phan, M. H., Krasheninnikov, A. V. & Batzill, M., 1 May 2019, In : Advanced Electronic Materials. 5, 5, p. 1-6 6 p., 1900044.

Research output: Contribution to journalArticleScientificpeer-review

11 Citations (Scopus)

Self-organized twist-heterostructures via aligned van der Waals epitaxy and solid-state transformations

Sutter, P., Ibragimova, R., Komsa, H. P., Parkinson, B. A. & Sutter, E., 1 Dec 2019, In : Nature Communications. 10, 1, p. 1-9 9 p., 5528.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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31 Downloads (Pure)

Simulating Raman spectra by combining first-principles and empirical potential approaches with application to defective MoS2

Kou, Z., Hashemi, A., Puska, M. J., Krasheninnikov, A. V. & Komsa, H. P., 1 Dec 2020, In : npj Computational Materials. 6, 1, p. 1-7 7 p., 59.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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7 Downloads (Pure)

Single-Layer ReS2: Two-Dimensional Semiconductor with Tunable In-Plane Anisotropy

Lin, Y-C., Komsa, H-P., Yeh, C-H., Björkman, T., Liang, Z-Y., Ho, C-H., Huang, Y-S., Chiu, P-W., Krasheninnikov, A. V. & Suenaga, K., Nov 2015, In : ACS Nano. 9, 11, p. 11249-11257 9 p.

Research output: Contribution to journalArticleScientificpeer-review

200 Citations (Scopus)

Structural Distortions and Charge Density Waves in Iodine Chains Encapsulated inside Carbon Nanotubes

Komsa, H. P., Senga, R., Suenaga, K. & Krasheninnikov, A. V., 14 Jun 2017, In : Nano Letters. 17, 6, p. 3694-3700 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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19 Citations (Scopus)
128 Downloads (Pure)

Structural Transformations in Two-Dimensional Transition-Metal Dichalcogenide MoS2 under an Electron Beam: Insights from First-Principles Calculations

Kretschmer, S., Komsa, H. P., Bøggild, P. & Krasheninnikov, A. V., 6 Jul 2017, In : Journal of Physical Chemistry Letters. 8, 13, p. 3061-3067 7 p.

Research output: Contribution to journalArticleScientificpeer-review

40 Citations (Scopus)

Substitutional carbon doping of free-standing and Ru-supported BN sheets: A first-principles study

Berseneva, N., Komsa, H. P., Vierimaa, V., Björkman, T., Fan, Z., Harju, A., Todorović, M., Krasheninnikov, A. V. & Nieminen, R. M., 4 Sep 2017, In : Journal of Physics Condensed Matter. 29, 41, p. 1-8 415301.

Research output: Contribution to journalArticleScientificpeer-review

6 Citations (Scopus)

Substitutional Si impurities in monolayer hexagonal boron nitride

Monazam, M. R. A., Ludacka, U., Komsa, H. P. & Kotakoski, J., 12 Aug 2019, In : Applied Physics Letters. 115, 7, p. 1-5 071604.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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5 Citations (Scopus)
31 Downloads (Pure)

The fox and the hound: In-depth and in-grain Na doping and Ga grading in Cu(In,Ga)Se2 solar cells

Colombara, D., Conley, K., Malitckaya, M., Komsa, H. P. & Puska, M. J., 14 Apr 2020, In : Journal of Materials Chemistry A. 8, 14, p. 6471-6479 9 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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1 Citation (Scopus)
17 Downloads (Pure)

Thermal transport in MoS2 from molecular dynamics using different empirical potentials

Xu, K., Gabourie, A. J., Hashemi, A., Fan, Z., Wei, N., Farimani, A. B., Komsa, H. P., Krasheninnikov, A. V., Pop, E. & Ala-Nissila, T., 11 Feb 2019, In : Physical Review B. 99, 5, p. 1-13 13 p., 054303.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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13 Citations (Scopus)
143 Downloads (Pure)

Three-fold rotational defects in two-dimensional transition metal dichalcogenides

Lin, Y-C., Björkman, T., Komsa, H-P., Teng, P-Y., Yeh, C-H., Huang, F-S., Lin, K-H., Jadczak, J., Huang, Y-S., Chiu, P-W., Krasheninnikov, A. V. & Suenaga, K., Apr 2015, In : Nature Communications. 6, p. 1-6 6 p., 6736.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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100 Citations (Scopus)
166 Downloads (Pure)

Tomonaga-Luttinger Liquid in a Box: Electrons Confined within MoS2 Mirror-Twin Boundaries

Jolie, W., Murray, C., Weiss, P. S., Hall, J., Portner, F., Atodiresei, N., Krasheninnikov, A., Busse, C., Komsa, H-P., Rosch, A. & Michely, T., 28 Mar 2019, In : Physical Review X. 9, 2, p. 1-13 13 p., 011055.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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14 Citations (Scopus)
143 Downloads (Pure)