Újszerű anyagok felületeinek elméleti vizsgálata  részletek

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Projekt adatai

 
azonosító
124100
típus FK
Vezető kutató Palotás Krisztián
magyar cím Újszerű anyagok felületeinek elméleti vizsgálata
Angol cím Theoretical studies of novel material surfaces
magyar kulcsszavak 2D anyagok és határfelületek, oxid felületek, DFT, STM, elektronszerkezet, adszorpció, katalízis
angol kulcsszavak 2D materials and interfaces, oxide surfaces, DFT, STM, electronic structure, adsorption, catalysis
megadott besorolás
Szilárdtestfizika (Műszaki és Természettudományok Kollégiuma)70 %
Ortelius tudományág: Szilárdtestfizika
Fizikai kémia és elméleti kémia (Műszaki és Természettudományok Kollégiuma)30 %
Ortelius tudományág: Felületi rétegek kémiája
zsűri Fizika 1
Kutatóhely SZFI - Elméleti Szilárdtest-fizikai Osztály (HUN-REN Wigner Fizikai Kutatóközpont)
résztvevők Contini Abilio Ivan
Deák László
Farkas Arnold Péter
Nagyfalusi Balázs
projekt kezdete 2017-12-01
projekt vége 2024-04-30
aktuális összeg (MFt) 34.991
FTE (kutatóév egyenérték) 6.44
állapot aktív projekt





 

Zárójelentés

 
kutatási eredmények (magyarul)
A projekt során számos új anyag felületének elméleti vizsgálatát végeztük, többnyire nemzetközi kísérleti együttműködésekben. Új felületi szerkezeteket javasoltunk számos (réz, vas, molibdén, titán, nátrium-irídium) tömbi oxidokra és ultravékony oxid és réz-jodid filmekre, és ezek elektronikus tulajdonságait is analizáltuk. A projekt számottevő része 2D anyagokra fókuszált, melynek során hexagonális bór-nitrid (hBN), nitrogénnel dópolt grafén, 1- és 2-réteg nióbium-diszelenid, és 2D anyagokból alkotott heteroszerkezetek (pl. molibdén-ditellurid/grafén és rénium-diszelenid/grafén) tulajdonságainak megértését vittük előre. Ez utóbbiak esetén egy univerzális töltés csapdázási viselkedést azonosítottunk. Hibahelyek és fém interkaláció összjátékát vizsgáltuk hBN-ben. Azobenzol és etanol molekulák adszorpciós tulajdonságait vizsgáltuk hBN nanohálón, molekuláris kapcsoló és katalízis alkalmazások céljából. A legjobb egy-atomos katalizátorként a molibdént azonosítottuk egy ftalocianin molekulán nitrogén redukció szempontjából. Elméleti módszerfejlesztéseket is végeztünk a pásztázó alagútmikroszkópia/spektroszkópia és mágneses nanoszerkezetek Gilbert csillapítási tenzor számításának területein. Mágneses felületek és fém/molekula nanoszerkezetek megértését is fejlesztettük szupravezető/mágnes határfelületek, mágneses állapotok kialakulása, és komplex mágneses felületek alagút spin-transzport tulajdonságainak vizsgálatával.
kutatási eredmények (angolul)
During the project we theoretically investigated a wide range of novel material surfaces, mostly within international experimental collaborations. We proposed new surface structures of various (copper, iron, molybdenum, titanium, sodium-iridium) bulk oxides and ultrathin oxide and copper iodide films, and analyzed their electronic properties. A considerable part of our project focused on 2D materials, in particular, we advanced the understanding of various properties of monolayer hexagonal boron-nitride (hBN), nitrogen-doped graphene, mono- and bilayer of niobium-diselenide, and heterostructures of 2D materials, such as molybdenum-ditelluride/graphene and rhenium-diselenide/graphene combinations, where we identified a universal charge trapping behavior. The interplay of defect structures and metal intercalation was studied in hBN. Azobenzene and ethanol molecular adsorption was investigated on the hBN nanomesh for molecular switch and catalysis applications. The best single atom catalyst was identified as molybdenum on a phthalocyanine molecule for nitrogen reduction. We performed theoretical method developments for scanning tunneling microscopy/spectroscopy, and for calculating the Gilbert damping tensor in magnetic nanostructures. We also advanced the understanding of magnetic surfaces and metal/molecular nanostructures by investigating superconductor/magnet interfaces, the formation of magnetic states, and tunneling spin transport properties of complex magnetic surfaces.
a zárójelentés teljes szövege https://otka-palyazat.hu/download.php?type=zarobeszamolo&projektid=124100
döntés eredménye
igen





 

Közleményjegyzék

 
Nita P, Dachniewicz M, Jałochowski M, Palotás K, Krawiec M: Template driven self-assembly of the pentacene structure on the Si(553)-Pb surface, JOURNAL OF PHYSICAL CHEMISTRY C 126: (41) pp. 17738-17745, 2022
Schulte S, Néel N, Rózsa L, Palotás K, Kröger J: Changing the interaction of a single-molecule magnetic moment with a superconductor, NANO LETTERS 23: (4) 1622-1628, 2023
Beck P, Nyári B, Schneider L, Rózsa L, Lászlóffy A, Palotás K, Szunyogh L, Ujfalussy B, Wiebe J, Wiesendanger R: Search for large topological gaps in atomic spin chains on proximitized superconducting heavy metal layers, COMMUNICATIONS PHYSICS 6: 83, 2023
Vári G, Vass Cs, Halasi Gy, Szabó L, Palotás K, Dombi P, Berkó A, Óvári L, Kónya Z: New insights into thermal processes of metal deposits on h-BN/Rh(111): A comparison of Au and Rh, APPLIED SURFACE SCIENCE 623: 157041, 2023
Yang H, Abilio I, Romero JB, Rodriguez C, Godoy ME, Little M, Mckee P, Carbajal V, Li J, Chen X, Gao H-J, Palotás K, Gao L: Atomic-scale identification of nitrogen dopants in graphene on Ir(111) and Ru(0001), JOURNAL OF PHYSICS: CONDENSED MATTER 35: (40) 405003, 2023
Rózsa L, Palotás K: Nanoméretű mágneses szerkezetek topológiája, FIZIKAI SZEMLE 73, 114-120, 2023
Amann S, Kucska N, Lászlóffy A, Néel N, Újfalussy B, Rózsa L, Palotás K, Kröger J: Magnetic bound states of iron clusters on a superconductor, PHYSICAL REVIEW B 108: (19) 195403, 2023
Nagyfalusi B, Szunyogh L, Palotás K: Real-space nonlocal Gilbert damping from exchange torque correlation applied to bulk ferromagnets and their surfaces, PHYSICAL REVIEW B 109: (9) 094417, 2024
Le Ster M, Dąbrowski P, Krukowski P, Rogala M, Lutsyk I, Ryś W, Märkl T, Brown SA, Sławińska J, Palotás K, Kowalczyk PJ: Moiré plane wave expansion model for scanning tunneling microscopy simulations of incommensurate two-dimensional materials, 2D MATERIALS (közlésre elküldve), ARXIV:2310.06535, 2024
Birschitzky VC, Sokolović I, Prezzi M, Palotás K, Setvín M, Diebold U, Reticcioli M, Franchini C: Machine learning-based prediction of polaron-vacancy patterns on the TiO2(110) surface, NPJ COMPUTATIONAL MATERIALS 10: 89, 2024
Cossu F, Nafday D, Palotás K, Biderang M, Kim H-S, Akbari A, Di Marco I: Stacking of charge-density waves in 2H-NbSe2 bilayers, PHYSICAL REVIEW RESEARCH (közlésre elküldve), ARXIV:2404.01807, 2024
Óvári L, Farkas AP, Palotás K, Vári G, Szenti I, Berkó A, Kiss J, Kónya Z: Hexagonal boron nitride on metal surfaces as a support and template, SURFACE SCIENCE REPORTS (közlésre elküldve), 2024
Zhang X, Zhang Z, Terzic J, Shao Z, Sun H, Li S, Palotás K, Ding H, Cao G, Zhu W, Lin H, Gao J, Pan M: Direct visualization of spin-dependent orbital geometry on the Na2IrO3 surface with ultra-high resolution, MICROSTRUCTURES (közlésre elfogadva), 2024
Halasi G, Vass C, Yu KM, Vári G, Farkas AP, Palotás K, Berkó A, Kiss J, Kónya Z, Aeschlimann M, Stadtmüller B, Dombi P, Óvári L: Enhancing the dipole ring of hexagonal boron nitride nanomesh by surface alloying, NPJ 2D MATERIALS AND APPLICATIONS (közlésre elküldve), 2024
Zhu B, Huang W, Lin H, Feng H, Palotás K, Lv J, Ren Y, Ouyang R, Yang F: Vacancy ordering in ultrathin copper oxide films on Cu(111), JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (közlésre elfogadva), 2024
Zdyb R, Palotás K, Simon E, Jaroch T, Korczak Z: Tuning ferromagnetism in a single layer of Fe above room temperature, MATERIALS 15: 1019, 2022
Ly TT, Lee Y-J, Choi BK, Lee H, Kim HJ, Duvjir G, Lam NH, Jang K, Palotás K, Chang YJ, Soon A, Kim J: Direct observation of trapped charges at ReSe2 and graphene heterojunctions, APPLIED SURFACE SCIENCE 579: 152187, 2022
Pham TT, Vancsó P, Szendrő M, Palotás K, Castelino R, Bouatou M, Chacon C, Henrard L, Lagoute J, Sporken R: Higher-indexed Moiré patterns and surface states of MoTe2/graphene heterostructure grown by molecular beam epitaxy, NPJ 2D MATERIALS AND APPLICATIONS 6: 48, 2022
Nagyfalusi B, Udvardi L, Szunyogh L: Magnetic ground state of supported monatomic Fe chains from first principles, JOURNAL OF PHYSICS: CONDENSED MATTER 34: (39) 395803, 2022
Abilio I, Palotás K: Density functional theory and STM simulation study of nitrogen-doped graphene configurations on Ir(111) and Ru(0001) surfaces, Poster presentation at the YOURHETCAT 2022 Conference, Szeged, Hungary, 2022
Lee G, Palotás K, Soon A: Computational surface microscopy: Moving beyond simple models and Python-enabled graphical user interface (GUI), Poster presentation at the 6th Psi-k Conference, Lausanne, Switzerland, 2022
Lee TH, Lee Y-J, Palotas K, Lee G, Stampfl C, Soon A: Polymorphic Expressions of Ultrathin Oxidic Layers of Mo on Au(111), NANOSCALE 11: (13) pp. 6023-6035., 2019
Neilson J, Chinkezian H, Phirke H, Osei-Twumasi A, Li YB, Chichiri C, Cho JW, Palotas K, Gan LB, Garrett SJ, Lau KC, Gao L: Nitrogen-Doped Graphene on Copper: Edge-Guided Doping Process and Doping-Induced Variation of Local Work Function, JOURNAL OF PHYSICAL CHEMISTRY C 123: (14) pp. 8802-8812., 2019
Turanský R, Palotás K, Brndiar J, Li Y J, Sugawara Y, Štich I: Subatomic-scale resolution with SPM: Co adatom on p (2 × 1)Cu(110):O, NANOTECHNOLOGY 30: (9) 095703, 2019
Zhang X., Xue N., Li C., Li N., Wang H., Kocić N., Beniwal S., Palotás K., Li R., Xue Q., Maier S., Hou S., Wang Y.: Coordination-Controlled C-C Coupling Products via ortho-Site C-H Activation, ACS NANO 13: (2) pp. 1385-1393., 2019
Gubo Richard, Vari Gabor, Kiss Janos, Farkas Arnold Peter, Palotas Krisztian, Ovari Laszlo, Berko A, Konya Zoltan: Tailoring the hexagonal boron nitride nanomesh on Rh(111) with gold, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20: (22) pp. 15473-15485., 2018
Kim H., Alexandra Palacio-Morales, Thore Posske, Levente Rózsa, Krisztián Palotás, László Szunyogh, Michael Thorwart, Roland Wiesendanger: Toward tailoring Majorana bound states in artificially constructed magnetic atom chains on elemental superconductors, SCIENCE ADVANCES 4: (5) eaar5251, 2018
Hsu P-J, Rózsa L, Finco A, Schmidt L, Palotás K, Vedmedenko E, Udvardi L, Szunyogh L, Kubetzka A, Von Bergmann K, Wiesendanger R: Inducing skyrmions in ultrathin Fe films by hydrogen exposure, NATURE COMMUNICATIONS 9: (1) 1571, 2018
Lewandowski Mikołaj, Pabisiak Tomasz, Michalak Natalia, Miłosz Zygmunt, Babačić Višnja, Wang Ying, Hermanowicz Michał, Palotás Krisztián, Jurga Stefan, Kiejna Adam: On the Structure of Ultrathin FeO Films on Ag(111), NANOMATERIALS 8: (10) 828, 2018
Palotas K: High-resolution combined tunneling electron charge and spin transport theory of Neel and Bloch skyrmions, PHYSICAL REVIEW B 98: (9) 094409, 2018
Palotas K, Rozsa L, Szunyogh L: Theory of high-resolution tunneling spin transport on a magnetic skyrmion, PHYSICAL REVIEW B 97: (17) 174402, 2018
Palotás K, Szunyogh L: Screened KKR, SPRINGER PROCEEDINGS IN PHYSICS 204: pp. 381-386., 2018
Palotás Krisztián, Óvári László, Vári Gábor, Gubó Richárd, Farkas Arnold P, Kiss János, Berkó András, Kónya Zoltán: Au–Rh Surface Structures on Rh(111): DFT Insights into the Formation of an Ordered Surface Alloy, JOURNAL OF PHYSICAL CHEMISTRY C 122: (39) pp. 22435-22447., 2018
Simon E, Rozsa L, Palotas K, Szunyogh L: Magnetism of a Co monolayer on Pt(111) capped by overlayers of 5d elements: A spin-model study, PHYSICAL REVIEW B 97: (13) 134405, 2018
Simon E., Yanes R., Khmelevskyi S., Palotás K., Szunyogh L., Nowak U.: Magnetism and exchange-bias effect at the MnN/Fe interface, PHYSICAL REVIEW B 98: (9) p. 094415., 2018
Zhachuk R., Coutinho J., Palotás K.: Atomic and electronic structure of the Si(331)-(12 × 1) surface, JOURNAL OF CHEMICAL PHYSICS 149: (20) 204702, 2018
Palotas K, Rozsa L, Simon E, Udvardi L, Szunyogh L: Spin-polarized scanning tunneling microscopy characteristics of skyrmionic spin structures exhibiting various topologies, PHYSICAL REVIEW B 96: (2) 024410, 2017
Ly T. T., T. Lee, S. Kim, Y.-J. Lee, G. Duvjir, K. Jang, K. Palotás, S.-Y. Jeong, A. Soon, J. Kim: Growing ultrathin Cu2O films on highly crystalline Cu(111): A closer inspection from microscopy and theory, Journal of Physical Chemistry C 123, 12716-12721, 2019
Lászlóffy A., L. Rózsa, K. Palotás, L. Udvardi, L. Szunyogh: Magnetic structure of monatomic Fe chains on Re(0001): Emergence of chiral multi-spin interactions, Physical Review B 99, 184430, 2019
Schneider L., M. Steinbrecher, L. Rózsa, J. Bouaziz, K. Palotás, M. dos Santos Dias, S. Lounis, J. Wiebe, R. Wiesendanger: Magnetism and in-gap states of 3d transition metal atoms on superconducting Re, npj Quantum Materials 4, 42, 2019
Lee G., T. Lee, J. Lee, K. Palotás, A. Soon: Two-dimensional CuI on Cu(111): A first-principles investigation, Spring Meeting of the German Physical Society, March 31-April 5, Regensburg, Germany, 2019
Ossowski T., K. Palotás, A. Kiejna: Simulations of STM images of iron-oxides surfaces, Physics Boat 2019 Workshop: Atomic structure of nanosystems from first-principles simulations and microscopy experiments, May 28-30, Helsinki, Finland, 2019
Szitás Á., A. P. Farkas, L. Óvári, K. Palotás, A. Berkó, R. Gubó, T. Pásztor, Z. Kónya: Azobenzol molekuláris kapcsoló adszorpciós tulajdonságainak vizsgálata h-BN nanoháló felületén, Magyar Fizikus Vándorgyűlés, Augusztus 21-24, Sopron, 2019
Palotás K: Scanning tunneling microscopy simulations based on density functional theory: The 3D-WKB-STM and BSKAN codes, Invited Theoretical Chemistry Colloquium at the Ruhr University Bochum, November 7, 2018, Bochum, Germany, 2018
Palotás K: First-principles-based simulation of scanning tunneling microscopy: From magnetic surfaces to molecular structures, Invited Seminar at the Surface Science Research Centre, Department of Chemistry, University of Liverpool, November 14, 2018, Liverpool, UK, 2018
Palotás K: Detection of magnetic skyrmions with spin-polarized scanning tunneling microscopy, Invited Seminar of the Surface Chemistry and Nanostructures Committee of the Hungarian Academy of Sciences at the University of Szeged, March 12, 2019, Szeged, Hungary, 2019
Palotás K: Detection of magnetic skyrmions with spin-polarized scanning tunneling microscopy, Invited Talk at Joint Workshop on Preparation, Structure, Magnetic and Transport Properties of Advanced Materials and Nanostructures, May 17-18, 2019, Visegrád, Hungary, 2019
Ščepka T., P. Neilinger, A. Samardak, A. V. Sadovnikov, V. A. Gubanov, S. A. Nikitov, K. Palotás, E. Simon, L. Szunyogh, J. Dérer, V. Cambel, M. Mruczkiewicz: Study of damping in Ru/Co-based multilayer thin films with Dzyaloshinskii-Moriya interaction, Joint European Magnetic Symposia, August 26-30, Uppsala, Sweden, 2019
Palotás K, Szunyogh L: Screened KKR, SPRINGER PROCEEDINGS IN PHYSICS 204: pp. 381-386, 2018
Hsu P-J, Rózsa L, Finco A, Schmidt L, Palotás K, Vedmedenko E, Udvardi L, Szunyogh L, Kubetzka A, Von Bergmann K, Wiesendanger R: Inducing skyrmions in ultrathin Fe films by hydrogen exposure, NATURE COMMUNICATIONS 9: 1571, 2018
Gubo Richard, Vari Gabor, Kiss Janos, Farkas Arnold Peter, Palotas Krisztian, Ovari Laszlo, Berko A, Konya Zoltan: Tailoring the hexagonal boron nitride nanomesh on Rh(111) with gold, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20: (22) pp. 15473-15485, 2018
Simon E., Yanes R., Khmelevskyi S., Palotás K., Szunyogh L., Nowak U.: Magnetism and exchange-bias effect at the MnN/Fe interface, PHYSICAL REVIEW B 98: (9) 094415, 2018
Palotás Krisztián, Óvári László, Vári Gábor, Gubó Richárd, Farkas Arnold P, Kiss János, Berkó András, Kónya Zoltán: Au–Rh Surface Structures on Rh(111): DFT Insights into the Formation of an Ordered Surface Alloy, JOURNAL OF PHYSICAL CHEMISTRY C 122: (39) pp. 22435-22447, 2018
Turanský R, Palotás K, Brndiar J, Li Y J, Sugawara Y, Štich I: Subatomic-scale resolution with SPM: Co adatom on p (2 × 1)Cu(110):O, NANOTECHNOLOGY 30: (9) 095703, 2019
Zhang X., Xue N., Li C., Li N., Wang H., Kocić N., Beniwal S., Palotás K., Li R., Xue Q., Maier S., Hou S., Wang Y.: Coordination-Controlled C-C Coupling Products via ortho-Site C-H Activation, ACS NANO 13: (2) pp. 1385-1393, 2019
Lee TH, Lee Y-J, Palotas K, Lee G, Stampfl C, Soon A: Polymorphic Expressions of Ultrathin Oxidic Layers of Mo on Au(111), NANOSCALE 11: (13) pp. 6023-6035, 2019
Neilson J, Chinkezian H, Phirke H, Osei-Twumasi A, Li YB, Chichiri C, Cho JW, Palotas K, Gan LB, Garrett SJ, Lau KC, Gao L: Nitrogen-Doped Graphene on Copper: Edge-Guided Doping Process and Doping-Induced Variation of Local Work Function, JOURNAL OF PHYSICAL CHEMISTRY C 123: (14) pp. 8802-8812, 2019
Ly TT, Lee T, Kim S, Lee YJ, Duvjir G, Jang K, Palotás K, Jeong SY, Soon A, Kim J: Growing ultrathin Cu2O films on highly crystalline Cu(111): A closer inspection from microscopy and theory, JOURNAL OF PHYSICAL CHEMISTRY C 123: (20) pp. 12716-12721, 2019
Lászlóffy A, Rózsa L, Palotás K, Udvardi L, Szunyogh L: Magnetic structure of monatomic Fe chains on Re(0001): Emergence of chiral multi-spin interactions, PHYSICAL REVIEW B 99: (18) 184430, 2019
Schneider L., M. Steinbrecher, L. Rózsa, J. Bouaziz, K. Palotás, M. dos Santos Dias, S. Lounis, J. Wiebe, R. Wiesendanger: Magnetism and in-gap states of 3d transition metal atoms on superconducting Re, NPJ QUANTUM MATERIALS 4: 42, 2019
Lee G., Y.-J. Lee, K. Palotás, T. Lee, A. Soon: Atomic Structure and Work Function Modulations in Two-Dimensional Ultrathin CuI Films on Cu(111) from First-Principles Calculations, JOURNAL OF PHYSICAL CHEMISTRY C 124: (30) pp. 16362-16370, 2020
Szitás Á, Gubó R, Pásztor T, Farkas AP, Ajtai T, Óvári L, Palotás K, Berkó A, Kónya Z: Adsorption of Azobenzene on Hexagonal Boron Nitride Nanomesh Supported by Rh(111), JOURNAL OF PHYSICAL CHEMISTRY C 124: (26) pp. 14182-14194, 2020
Ščepka T, Neilinger P, Samardak A, Kolesnikov AG, Ognev AV, Sadovnikov AV, Gubanov VA, Nikitov SA, Palotás K, Simon E, Szunyogh L, Dérer J, Cambel V, Mruczkiewicz M: Damping in Ru/Co-based multilayer films with large Dzyaloshinskii-Moriya interaction, ARXIV:1911.02467, 2019
Liu F, Song L, Liu Y, Zheng F, Wang L, Palotás K, Lin H, Li Y: Using the NN dipole as a theoretical indicator for estimating the electrocatalytic performance of active sites in the nitrogen reduction reaction: ..., JOURNAL OF MATERIALS CHEMISTRY A 8: (7) pp. 3598-3605, 2020
Farkas AP, Szitás Á, Jurdi D, Palotás K, Kiss J, Kónya Z: Selective transformation of ethanol to acetaldehyde catalyzed by Au/h-BN interface prepared on Rh(111) surface, APPLIED CATALYSIS A: GENERAL 592: 117440, 2020
Cossu F, Palotás K, Sarkar S, Di Marco I, Akbari A: Strain-induced stripe phase in charge-ordered single layer NbSe2, NPG ASIA MATERIALS 12: 24, 2020
Palotás K, Rózsa L, Simon E, Szunyogh L: High-resolution tunneling spin transport characteristics of topologically distinct magnetic skyrmionic textures from theoretical calculations, JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, accepted for publication; ARXIV:2005.13266, 2020
Palotás K: STM simulations based on DFT: The 3D-WKB-STM and BSKAN codes, Invited Seminar at the Asia Pacific Center for Theoretical Physics, December 10, 2019, Pohang, South Korea, 2019
Palotás K: Detection of magnetic skyrmions with spin-polarized scanning tunneling microscopy, Invited Seminar at the Asia Pacific Center for Theoretical Physics, December 12, 2019, Pohang, South Korea, 2019
Palotás K: First-principles-based simulation of scanning tunneling microscopy: From magnetic surfaces to molecular structures, Invited Seminar at the Center for Quantum Nanoscience, Ewha Womans University, December 13, 2019, Seoul, South Korea, 2019
Palotás K: Theoretical modeling of materials: Combining physics and chemistry, Invited Talk at Korea + Europe Early/Mid-career Workshop, December 13, 2019, Seoul, South Korea, 2019
Lee G., Y.-J. Lee, K. Palotás, T. Lee, A. Soon: Atomic Structure and Work Function Modulations in Two-Dimensional Ultrathin CuI Films on Cu(111) from First-Principles Calculations, JOURNAL OF PHYSICAL CHEMISTRY C 124: (30) pp. 16362-16370, 2020
Szitás Á, Gubó R, Pásztor T, Farkas AP, Ajtai T, Óvári L, Palotás K, Berkó A, Kónya Z: Adsorption of Azobenzene on Hexagonal Boron Nitride Nanomesh Supported by Rh(111), JOURNAL OF PHYSICAL CHEMISTRY C 124: (26) pp. 14182-14194, 2020
Liu F, Song L, Liu Y, Zheng F, Wang L, Palotás K, Lin H, Li Y: Using the NN dipole as a theoretical indicator for estimating the electrocatalytic performance of active sites in the nitrogen reduction reaction: ..., JOURNAL OF MATERIALS CHEMISTRY A 8: (7) pp. 3598-3605, 2020
Farkas AP, Szitás Á, Jurdi D, Palotás K, Kiss J, Kónya Z: Selective transformation of ethanol to acetaldehyde catalyzed by Au/h-BN interface prepared on Rh(111) surface, APPLIED CATALYSIS A: GENERAL 592: 117440, 2020
Cossu F, Palotás K, Sarkar S, Di Marco I, Akbari A: Strain-induced stripe phase in charge-ordered single layer NbSe2, NPG ASIA MATERIALS 12: 24, 2020
Palotás K, Rózsa L, Simon E, Szunyogh L: High-resolution tunneling spin transport characteristics of topologically distinct magnetic skyrmionic textures from theoretical calculations, JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 519: 167440, 2021
Beck P, Schneider L, Rózsa L, Palotás K, Lászlóffy A, Szunyogh L, Wiebe J, Wiesendanger R: Spin-orbit coupling induced splitting of Yu-Shiba-Rusinov states in antiferromagnetic dimers, NATURE COMMUNICATIONS 12: 2040, 2021
Lee Y.-J., Ly T.T., Lee T., Palotás K., Jeong S.Y., Kim J., Soon A.: Completing the picture of initial oxidation on copper, APPLIED SURFACE SCIENCE 562: 150148, 2021
Lászlóffy A, Palotás K, Rózsa L, Szunyogh L: Electronic and magnetic properties of building blocks of Mn and Fe atomic chains on Nb(110), NANOMATERIALS 11: (8) 1933, 2021
Niu K, Ni X, Wang H, Li Y, Palotás K, Lin H, Chi L: On-surface synthesis of 2D COFs via molecular assembly directed photocycloadditions: A first-principles investigation, JOURNAL OF PHYSICS: CONDENSED MATTER, accepted for publication, 2021
Lo Conte R, Bazarnik M, Palotás K, Rózsa L, Szunyogh L, Kubetzka A, von Bergmann K, Wiesendanger R: Coexistence of Antiferromagnetism and Superconductivity in Mn/Nb(110), ARXIV:2109.03743, 2021
Palotás K, Rózsa L, Simon E, Udvardi L, Szunyogh L: Spin-polarized scanning tunneling microscopy characteristics of skyrmionic spin structures exhibiting various topologies, PHYSICAL REVIEW B 96: (2) 024410, 2017
Simon E, Rózsa L, Palotás K, Szunyogh L: Magnetism of a Co monolayer on Pt(111) capped by overlayers of 5d elements: A spin-model study, PHYSICAL REVIEW B 97: (13) 134405, 2018
Hsu P-J, Rózsa L, Finco A, Schmidt L, Palotás K, Vedmedenko E, Udvardi L, Szunyogh L, Kubetzka A, von Bergmann K, Wiesendanger R: Inducing skyrmions in ultrathin Fe films by hydrogen exposure, NATURE COMMUNICATIONS 9: 1571, 2018
Gubó R, Vári G, Kiss J, Farkas AP, Palotás K, Óvári L, Berkó A, Kónya Z: Tailoring the hexagonal boron nitride nanomesh on Rh(111) with gold, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20: (22) pp. 15473-15485, 2018
Kim H, Palacio-Morales A, Posske T, Rózsa L, Palotás K, Szunyogh L, Thorwart M, Wiesendanger R: Toward tailoring Majorana bound states in artificially constructed magnetic atom chains on elemental superconductors, SCIENCE ADVANCES 4: (5) eaar5251, 2018
Palotás K, Rózsa L, Szunyogh L: Theory of high-resolution tunneling spin transport on a magnetic skyrmion, PHYSICAL REVIEW B 97: (17) 174402, 2018
Simon E, Yanes R, Khmelevskyi S, Palotás K, Szunyogh L, Nowak U: Magnetism and exchange-bias effect at the MnN/Fe interface, PHYSICAL REVIEW B 98: (9) 094415, 2018
Palotás K: High-resolution combined tunneling electron charge and spin transport theory of Neel and Bloch skyrmions, PHYSICAL REVIEW B 98: (9) 094409, 2018
Palotás K, Óvári L, Vári G, Gubó R, Farkas AP, Kiss J, Berkó A, Kónya Z: Au–Rh Surface Structures on Rh(111): DFT Insights into the Formation of an Ordered Surface Alloy, JOURNAL OF PHYSICAL CHEMISTRY C 122: (39) pp. 22435-22447, 2018
Zhachuk R, Coutinho J, Palotás K: Atomic and electronic structure of the Si(331)-(12 × 1) surface, JOURNAL OF CHEMICAL PHYSICS 149: (20) 204702, 2018
Turanský R, Palotás K, Brndiar J, Li YJ, Sugawara Y, Štich I: Subatomic-scale resolution with SPM: Co adatom on p (2 × 1)Cu(110):O, NANOTECHNOLOGY 30: (9) 095703, 2019
Lewandowski M, Pabisiak T, Michalak N, Miłosz Z, Babačić V, Wang Y, Hermanowicz M, Palotás K, Jurga S, Kiejna A: On the Structure of Ultrathin FeO Films on Ag(111), NANOMATERIALS 8: (10) 828, 2018
Zhang X, Xue N, Li C, Li N, Wang H, Kocić N, Beniwal S, Palotás K, Li R, Xue Q, Maier S, Hou S, Wang Y: Coordination-Controlled C-C Coupling Products via ortho-Site C-H Activation, ACS NANO 13: (2) pp. 1385-1393, 2019
Lee TH, Lee Y-J, Palotás K, Lee G, Stampfl C, Soon A: Polymorphic Expressions of Ultrathin Oxidic Layers of Mo on Au(111), NANOSCALE 11: (13) pp. 6023-6035, 2019
Neilson J, Chinkezian H, Phirke H, Osei-Twumasi A, Li YB, Chichiri C, Cho JW, Palotás K, Gan LB, Garrett SJ, Lau KC, Gao L: Nitrogen-Doped Graphene on Copper: Edge-Guided Doping Process and Doping-Induced Variation of Local Work Function, JOURNAL OF PHYSICAL CHEMISTRY C 123: (14) pp. 8802-8812, 2019
Schneider L, Steinbrecher M, Rózsa L, Bouaziz J, Palotás K, dos Santos Dias M, Lounis S, Wiebe J, Wiesendanger R: Magnetism and in-gap states of 3d transition metal atoms on superconducting Re, NPJ QUANTUM MATERIALS 4: 42, 2019
Lee G, Lee Y-J, Palotás K, Lee T, Soon A: Atomic Structure and Work Function Modulations in Two-Dimensional Ultrathin CuI Films on Cu(111) from First-Principles Calculations, JOURNAL OF PHYSICAL CHEMISTRY C 124: (30) pp. 16362-16370, 2020
Palotás K, Rózsa L, Simon E, Szunyogh L: High-resolution tunneling spin transport characteristics of topologically distinct magnetic skyrmionic textures from theoretical calculations, JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 519: 167440, 2021
Beck P, Schneider L, Rózsa L, Palotás K, Lászlóffy A, Szunyogh L, Wiebe J, Wiesendanger R: Spin-orbit coupling induced splitting of Yu-Shiba-Rusinov states in antiferromagnetic dimers, NATURE COMMUNICATIONS 12: 2040, 2021
Lee Y-J, Ly TT, Lee T, Palotás K, Jeong SY, Kim J, Soon A: Completing the picture of initial oxidation on copper, APPLIED SURFACE SCIENCE 562: 150148, 2021
Lászlóffy A, Palotás K, Rózsa L, Szunyogh L: Electronic and magnetic properties of building blocks of Mn and Fe atomic chains on Nb(110), NANOMATERIALS 11: (8) 1933, 2021
Niu K, Ni X, Wang H, Li Y, Palotás K, Lin H, Chi L: On-surface synthesis of 2D COFs via molecular assembly directed photocycloadditions: A first-principles investigation, JOURNAL OF PHYSICS: CONDENSED MATTER 33: (47) 475201, 2021
Lo Conte R, Bazarnik M, Palotás K, Rózsa L, Szunyogh L, Kubetzka A, von Bergmann K, Wiesendanger R: Coexistence of Antiferromagnetism and Superconductivity in Mn/Nb(110), PHYSICAL REVIEW B 105: (10) L100406, 2022
Ossowski T, Pabisiak T, Kiejna A, Palotás K, Bauer E: Simulation of STM images of hematite α-Fe2O3(0001) surfaces: Dependence on distance and bias, JOURNAL OF PHYSICAL CHEMISTRY C 125: (48) pp. 26711-26717, 2021





 

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2021-10-21 14:41:23
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2019-04-25 10:19:48
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