Publications
Book Chapters
M. Ghorbani-Asl, S. Kretschmer, and A.V. Krasheninnikov, Two-dimensional materials under ion irradiation: from defect production to structure and property engineering, “Defects in 2D Materials”, Elsevier, DOI:10.1016/B978-0-12-820292-0.00015-X (2022).
Peer-Reviewed Journals
* corresponding author
2024
B. Mohanty, L. Pradhan, B. Satpati, P. Rajput, M. Ghorbani-Asl*, Y. Wei, A.V. Krasheninnikov, B. K. Jena, Optimising the structure of NiCo bi-metallic nanoparticles for efficient hydrogen evolution reaction, submitted (2024).
Y. Li, F. Börrnert, M. Ghorbani-Asl, J. Biskupek, X. Zhang, Y. Zhang, D. Bresser, A. V. Krasheninnikov, and Ute Kaiser, Understanding the influence of atomic defects on the lithiation and delithiation processes in bilayer graphene, submitted (2024).
K. Lin, Y. Li, M. Ghorbani-Asl, Z. Sofer, S. Winnerl, A. Erbe, A.V. Krasheninnikov, M. Helm, S. Zhou, Y. Dan, S. Prucnal, Probing the band splitting near the Γ point in the van der Waals magnetic semiconductor CrSBr, submitted (2024).
K. Mehlich, M. Ghorbani-Asl, D. Sahm, T. Chagas, D. Weber, C. Grover, D. Dombrowski, A. V. Krasheninnikov, C. Busse, Dislocation-free two-dimensional concentric lateral heterostructures: MoS2-TaS2/Au(111), submitted (2024).
Z. Fekri, P. Chava, G. Hlawacek, M. Ghorbani-Asl, S. Kretschmer W. Awan, V. Mootheri, T. Venanzi, N. Sycheva, A. George, A. Turchanin, K. Watanabe, M. Helm, A. V. Krasheninnikov, A. Erbe, Tuning the electronic characteristics of monolayer MoS2-based transistors by ion irradiation: the role of the substrate, Adv. Electronic Mater., accepted (2024).
P. Santra, S. Ghaderzadeh, M. Ghorbani-Asl, H.-P. Komsa, E. Besley, A.V. Krasheninnikov, Strain-modulated defect engineering of two-dimensional materials, npj 2D Mater. Appl., accepted (2024).
P. Aleksa, M. Ghorbani-Asl, S. Iqbal, M. A. Martuza, A. Bremerich, D. Wilks, J. Cai, T. Chagas, R. Ohmann, A. Krasheninnikov, C. Busse, Transition from fractal-dendritic to compact islands for the 2D-ferroelectric SnSe on graphene/Ir(111), Nanotechnology, 35, 175707 (2024).
2023
A. Storm, J. Köster, M. Ghorbani-Asl, S. Kretschmer, T. Gorelik, A.V. Krasheninnikov and U. Kaiser, Structural transformations in few-layer in few-layer MnPSe3 stimulated by thermal annealing and electron irradiation, under revision, J. Phys. Chem. C 127, 24713–24723 (2023).
Q. Liu, S. Kretschmer, M. Ghorbani-Asl, P. Solís-Fernández, M-D. Siao, P-W. Chiu, H. Ago, A.V. Krasheninnikov, K. Suenaga, Unique molybdenum chloride nanostructures with giant lattice distortions intercalated into bilayer graphene, ACS Nano 17, 23659-23670 (2023).
F. Long, M. Ghorbani-Asl, K. Mosina, Y. Li, K. Lin, F. Ganss1, R. Hübner, Z. Sofer, F. Dirnberger, A. Kamra, A. V. Krasheninnikov, S. Prucnal, A. Chernikov, M. Helm, S. Zhou, Ferromagnetic interlayer coupling in CrSBr crystals irradiated by ions, Nano Lett. 23, 8468-8473 (2023).
V. Sheina, G. Lang, V. Stolyarov, V. Marchenkov, S. Naumov, A. Perevalova, J. Girard, G. Rodary, C. David, L. Sop, D. Pierucci, A. Ouerghi, J. Cantin, B. Leridon, M. Ghorbani-Asl, A.V. Krasheninnikov, H. Aubin, Hydrogenic spin-valley states of the bromine donor in MoTe2, Commun. Phys. 6, 135 (2023).
X. Zhang, M. Ghorbani-Asl*, Y. Zhang, A.V. Krasheninnikov, Quasi-2D FCC lithium crystals inside bi-layer graphene: interaction with defects and impurities, Mater. Today Energy 34, 101293 (2023).
J. Li, M. Ghorbani-Asl, K. Lasek, V. Pathirage, A.V. Krasheninnikov, M. Batzill, A van der Waals heterostructure with an electronically textured moiré pattern: PtSe2/PtTe2, ACS Nano 17, 5913–5920 (2023).
M. Lunardon, T. Kosmala, M. Ghorbani-Asl, A.V. Krasheninnikov, S. Kolekar, C. Durante, M. Batzill, S. Agnoli and G. Granozzi, Catalytic Activity of Defect-Engineered Transition Metal Dichalcogenides Mapped with Atomic Scale Precision by Electrochemical Scanning Tunneling Microscopy, ACS Energy Lett. 8, 972-980 (2023).
A. Storm, J. Köster, M. Ghorbani-Asl, S. Kretschmer, T. Gorelik, A.V. Krasheninnikov and U. Kaiser, Electron-beam- and thermal-annealing-induced structural transformations in few-layer MnPS3, ACS Nano 17, 4250-4260 (2023).
2022
K. Lasek, J. Li, M. Ghorbani-Asl, S. Khatun, O. Alanwoko, V. Pathirage, A.V. Krasheninnikov, M. Batzill, Formation of In-Plane Semiconductor-Metal Contacts in 2D Platinum Telluride by Converting PtTe2 to Pt2Te2, Nano Lett. 22, 9571-9577 (2022).
K. Lasek, M. Ghorbani-Asl, V. Pathirage, A.V. Krasheninnikov, M. Batzill, Controlling stoichiometry in an ultrathin van der Waals films: PtTe2, Pt2Te3, Pt3Te4, and Pt2Te2, ACS Nano 16, 9908–9919 (2022).
R. Friedrich, M. Ghorbani-Asl, S. Curtarolo, A.V. Krasheninnikov, Data-driven design of two-dimensional non-van der Waals materials, Nano Lett. 22, 989-997 (2022).
J. Li, T. Joseph, M. Ghorbani-Asl, S. Kolekar, A.V. Krasheninnikov, M. Batzill, Edges and point defects in PtSe2 Monolayers, Adv. Funct. Mater. 32, 2110428 (2022).
J. Duan, P. Chava, M. Ghorbani-Asl, Y. Lu, D. Erb, L. Hu, A. Echresh, L. Rebohle, A. Erbe, A. V. Krasheninnikov, M. Helm, Y.J. Zeng, S. Zhou and S. Prucnal, Self‑driven broadband photodetector based on MoSe2/FePS3 van der Waals p-n Type-II heterojunctions, ACS Appl. Mater. Inter. 14, 11927–11936 (2022).
D. Yagodkin, K. Greben, A. Eljarrat, S. Kovalchuk, M. Ghorbani-Asl, M. Jain, S. Kretchmer, N. Severin, J. P. Rabe, A.V. Krasheninnikov, C. T. Koch, and K. I. Bolotin, Defect-free nanopatterning of room-temperature localized excitons in 2D semiconductors, Adv. Funct. Mater. 32, 2203060 (2022).
M. Bui, S. Rost, M. Auge, J. Tu, I. Aquilera, S. Blügel, M. Ghorbani-Asl, A.V. Krasheninnikov, A. Hashemi, H.-P. Komsa, H. Hofsass, D. Grutzmacher, B. Kardynal, MoS2-xSe2 alloy formation by low energy ion implantation of Se into MoS2, npj 2D Mater. Appl. 6, 42 (2022).
A. Storm, J. Köster, M. Ghorbani-Asl, S. Kretschmer, T.E. Gorelik, A.V. Krasheninnikov and U. Kaiser, Structural and chemical modifications of few-layer transition metal phosphorous trisulfides by electron irradiation, J. Phys. Chem. C 126, 15446-15455 (2022).
M. Posselt, H. Bracht, M. Ghorbani-Asl, D. Radic, Atomic mechanisms of self-diffusion in amorphous silicon, AIP Adv. 12, 115325 (2022).
2021
H. Zhong†, M. Wang†, M. Ghorbani-Asl†, J. Zhang, K. Ly, Z. Liao, G. Chen, B. Biswal, E. Zschech I. Weidinger, A.V. Krasheninnikov, R. Dong and X. Feng, Boosting the electrocatalytic conversion of nitrogen to ammonia on metal-phthalocyanine-based two-dimensional conjugated covalent organic frameworks, J. Am. Chem. Soc. 143, 19992-20000 (2021). (†Equal contribution)
A. Kondinski, M. Ghorbani-Asl*, Polyoxoplatinates as covalently dynamic electron sponges and molecular electronics materials, Nanoscale Adv. 3, 5663–5675 (2021).
N. Hassani, M. Ghorbani-Asl, B. Radha, A.V. Krasheninnikov, and M. Neek-Amal, Gas permeability and selectivity of porous WS2 monolayer: a theoretical perspective, J. Phys. Chem. C 125, 25055–25066 (2021).
T. Joseph, M. Ghorbani-Asl, M. Batzill, A.V. Krasheninnikov, Water dissociation and association on mirror twin boundaries in two-dimensional MoSe2: insights from DFT calculations, Nanoscale Adv. 3, 6992-7001 (2021).
S. Prucnal, A. Hashemi, M. Ghorbani-Asl, R. Hübner, J. Duan, D. Sharma, D.R.T. Zahn, R. Ziegenrücker, Y. Wei, U. Kentsch, A.V. Krasheninnikov, M. Helm and S. Zhou, Chlorine doping of MoSe2 flakes by ion implantation, Nanoscale 13, 5834-5846 (2021).
M. Fischer, J. M. Caridad, A. Sajid, S. Ghaderzadeh, M. Ghorbani-Asl, L. Gammelgaard, K. S. Thygesen, A.V. Krasheninnikov, S. Xiao, M. Wubs, and N. Stenger, Controlled generation of luminescent centres in hexagonal boron nitride by irradiation engineering, Sci. Adv. 7, eabe7138 (2021).
J. Li, T. Joseph, M. Ghorbani-Asl, S. Kolekar, A.V. Krasheninnikov, M. Batzill, Mirror twin boundaries in MoSe2 monolayers as one-dimensional nanotemplates for selective water adsorption, Nanoscale 13, 1038-1047 (2021).
S. Ghaderzadeh, S. Kretschmer, M. Ghorbani-Asl, A.V. Krasheninnikov, Atomistic simulation of vacancy engineering in hexagonal boron nitride under low and high-fluence ion irradiation, Nanomaterials 11, 1214 (2021).
J. Köster, M. Ghorbani-Asl, T. Lehnert, H.-P. Komsa, S. Kretschmer, A.V. Krasheninnikov and U. Kaiser, Defect agglomeration and local phase transformations in single-layer MoTe2 under electron beam irradiation, J. Phys. Chem. C 125 13601-13609 (2021).
J. Duan, P. Chava, M. Ghorbani-Asl, L. Hu, A.V. Krasheninnikov, Y. Lu, H. Schneider, L. Rebohle, A. Erbe, M. Helm, Y-J Zeng, S. Zhou, and S. Prucnal, Enhanced trion emission in monolayer MoSe2 by constructing a type-I van der Waals heterojunction, Adv. Funct. Mater. 31, 2104960 (2021).
J. Li, S. Kolekar, M. Ghorbani-Asl, T. Lehnert, J. Biskupek, U. Kaiser, A.V. Krasheninnikov, M. Batzill, Layer-dependent band gaps of Pt-dichalcogenides, ACS Nano 15, 13249-13259 (2021).
Y. Lin, A. Motoyama, S. Kretschmer, S. Ghaderzadeh, M. Ghorbani-Asl, A.V. Krasheninnikov, H. Ago, K. Suenaga, Polymorphic phases of metal chlorides in 2D nanospace, Adv. Mater. 33, 2105898 (2021).
M. Bahmani, M. Ghorbani-Asl*, T. Frauenheim, Role of defects in electronic properties of 1T/2H MoS2-based lateral heterostructures, RSC Adv. 11, 37995-38002 (2021).
2020
S. Ghaderzadeh, M. Ghorbani-Asl, S. Kretschmer, G. Hlawacek, A. V. Krasheninnikov, Channeling effects in gold nano-clusters under He ion irradiation: insights from molecular dynamics simulations, Nanotechnology 30, 035302 (2020).
P. Valerius, S. Kretschmer, B. Senkovskiy, S. Wu, J. Hall, A. Herman, N. Ehlen, M. Ghorbani-Asl, A. Gruuneis, A. V. Krasheninnikov, T. Michely, Reversible crystalline-to-amorphous phase transformations in monolayer MoS2 under grazing ion irradiation, 2D Mater. 7, 025005 (2020).
H. Zhong†, M. Ghorbani-Asl†, K. Hoang Ly, J. Ge, J. Zhang, M. Wang, Z. Liao, J. Zhang, A. V. Krasheninnikov, D. Makarov, E. Zschech, B. Büchner, E. Brunner, I. M. Weidinger, S. Kaskel, R. Dong & X. Feng, Synergistic electroreduction of carbon dioxide to carbon monoxide on bimetallic layered conjugated metal-organic frameworks, Nat. Commun. 11, 1409 (2020). († Equal contribution)
B. Mohanty, Y. Wei, M. Ghorbani-Asl*, A. V. Krasheninnikov, P. Rajput, B. K. Jena, Revealing the defect-dominated oxygen evolution activity of hematene, J. Mater. Chem. A 8, 6709-6716 (2020).
I. Chepkasov, M. Ghorbani-Asl, Z. Popov, and A.V. Krasheninnikov, Multilayered alkali metals inside two-layered graphene and MoS2 structures for metal-ion batteries, Nano Energy 75, 104927 (2020).
S. Ghaderzadeh, V. Ladygin, M. Ghorbani-Asl, G. Hlawacek, and A. V. Krasheninnikov, MoS2 monolayers under cluster ion irradiation: a molecular dynamics study, ACS Appl. Mater. Interfaces 12, 37454-37463 (2020).
Y. Wei, M Ghorbani-Asl*, and A. V. Krasheninnikov, Tailoring the electronic and magnetic properties of hematene by surface passivation: insight from first-principles calculations, J. Phys. Chem. C 124, 22784-22792 (2020).
2019
R. Kozubek, M. Tripathi, M. Ghorbani-Asl, S. Kretschmer, L. Madauß, M. O’Brien, N. McEvoy, U. Ludacka, G. Duesberg, R. Wilhelm, A. V. Krasheninnikov, J. Kotakoski, and M. Schleberger, Perforation freestanding molybdenum disulphide monolayers with highly charged ions, J. Phys. Chem. Lett. 10, 904-910 (2019).
T. Lehnert, M. Ghorbani-Asl, J. Köster, Z. Lee, A. V. Krasheninnikov, U. Kaiser, Electron-beam-driven structure evolution of single-layer MoTe2 for quantum devices, ACS Appl. Nano Mater. 2, 3262-3270 (2019).
L. Balaghi, G. Bussone, R. Grifone, R. Hübner, J. Grenzer, M. Ghorbani-Asl, A. V. Krasheninnikov, H. Schneider, M. Helm, E. Dimaki, Widely tunable GaAs band gap via strain engineering in core/shell nanowires with large lattice mismatch, Nat. Commun. 10, 2793 (2019).
T. Joseph, M. Ghorbani-Asl, A. Kvashnin, K. Larionov, Z. Popov, P. Sorokin, and A. V. Krasheninnikov, Non-stoichiometric phases of two-dimensional transition-metal dichalcogenides: from chalcogen vacancies to pure metal membranes, J. Phys. Chem. Lett. 10, 6492-6498 (2019).
2018
B. Mohanty, M. Ghorbani-Asl*, S. Kretschmer, A. Ghosh, P. Guha, S. K. Panda, B. Jena, A.V. Krasheninnikov, B. K. Jena, MoS2 quantum dots as an efficient catalyst material for oxygen evolution reaction, ACS Catal. 8, 1683-1689 (2018).
S. Kretschmer, M. Maslov, S. Ghaderzadeh, M. Ghorbani-Asl, G. Hlawacek, A.V. Krasheninnikov, supported two-dimensional materials under ion irradiation: the substrate governs defect production, ACS Appl. Mater. Interfaces 10, 30827 (2018).
M. Kühne, F. Börrnert, S. Fecher, M. Ghorbani-Asl, J. Biskupek, D. Samuelis, A.V. Krasheninnikov, U. Kaiser, J. H. Smet, Reversible super dense ordering of lithium between two graphene sheets, Nature 564, 234-239 (2018).
2017
K. Milowska, M. Ghorbani-Asl*, M. Burda, L. Wolanicka, N. Catic, P. D. Bristowe, K. Koziol, Breaking the barriers between copper and carbon nanotubes, Nanoscale 9, 8458-8469 (2017).
M. Ghorbani-Asl*, S. Kretschmer, D. Spearot, A.V. Krasheninnikov, Two-dimensional MoS2 under ion irradiation: from controlled defect production to electronic structure engineering, 2D Mater. 4, 025078 (2017). (Highlighted paper with video abstract)
L. Ma, Y. Tan, M. Ghorbani-Asl, R. Böttger, S. Kretschmer, S. Zhou, Z. Huang, A. V. Krasheninnikov, F. Chen, Tailoring optical properties of atomically-thin WS2 via ion irradiation, Nanoscale 9, 11027-11034 (2017). (Featured on the Cover Image)
2016
M. Ghorbani-Asl, A. Kuc, P. Miró and T. Heine, A single material logical junction based on two-dimensional crystal PdS2, Adv. Mater. 28, 853-856 (2016).
M. Khazaei, A. Ranjbar, M. Ghorbani-Asl, M. Arai, T. Sasaki, Y. Liang, and S. Yunoki, T. Inoshita, Nearly free electron states in MXenes, Phys. Rev. B 93, 205125 (2016).
M. Ghorbani-Asl*, P. Bristowe, K. Koziol, T. Heine and A. Kuc, Effect of compression on the electronic, optical and transport properties of Graphene/MoS2 based junctions. 2D Mater. 3, 025018 (2016).
E. Sutter, Y. Huang, H.-P. Komsa, M. Ghorbani-Asl, A.V. Krasheninnikov, and P. Sutter, Electron-beam induced transformations of layered tin dichalcogenides, Nano Lett. 16, 4410-4416 (2016).
D. Kvashnin, M. Ghorbani-Asl, D. Shtansky, A.V. Krasheninnikov, P. Sorokin, Mechanical properties and current-carrying capacity of Al reinforced with graphene/BN nanoribbons: a computational study, Nanoscale 8, 20080-20089 (2016).
2015
M. Ghorbani-Asl*, P. Bristowe and K. Koziol, A computational study of the quantum transport properties of a Cu-CNT composite, Phys. Chem. Chem. Phys. 17, 18273-18277 (2015). (Communication)
2014
P. Miró, M. Ghorbani-Asl and T. Heine, Two-dimensional materials beyond MoS2: noble transition-metal dichalcogenides, Angew. Chem. Intl. Ed. 53, 3015-3028 (2014).
T. Lorenz, M. Ghorbani-Asl, J. Joswig, T. Heine and G. Seifert, Is MoS2 a robust material for 2D electronics? Nanotechnology 25, 445201 (2014).
R. Juarez, M. Ghorbani-Asl, A. Kuc and T. Heine, Electromechanical properties of carbon nanotubes, J. Phys. Chem. C 118, 13936-13944 (2014).
N. Zibouche, M. Ghorbani-Asl, T. Heine and A. Kuc, Electromechanical properties of small tranisition-metal dichalcogenide nanotubes, Inorganics 2, 155-167 (2014).
2013
M. Ghorbani-Asl, S. Borini, A. Kuc and T. Heine, Strain-dependent modulation of conductivity in single layer transition-metal dichalcogenides, Phys. Rev. B 87, 235434 (2013).
P. Miró, M. Ghorbani-Asl and T. Heine, Spontaneous ripple formation in MoS2 monolayers: electronic structure and transport effects, Adv. Mater. 25, 5473-5475 (2013). (Featured on the Cover Image).
M. Ghorbani-Asl, N. Zibouche, M. Wahiduzzaman, A. Oliveira, A. Kuc, and T. Heine, Electromechanics in MoS2 and WS2: nanotubes vs. monolayers, Sci. Rep. 3, 2961 (2013).
M. Ghorbani-Asl, A. Enyashin, A. Kuc, G. Seifert and T. Heine, Defect-induced conductivity anisotropy in MoS2 monolayers, Phys. Rev. B 88, 245440 (2013).
2012
M. Ghorbani-Asl, R. Juarez-Mosqueda, A. Kuc and T. Heine, Efficient quantum simulations of metals within the Γ-point approximation: application to carbon and inorganic 1D and 2D materials, J. Chem. Theory Comput. 8, 2888-2895 (2012).
2009
A. Saffarzadeh and M. Ghorbani-Asl, Spin currents and magnetoresistance of graphene-based magnetic junctions, Eur. Phys. J. B 67, 239-244 (2009).
Invited Talks
Simulation of irradiation effects in solids, 6th EUFN Workshop 2023, Zurich, Switzerland (June 2023).
The role of defects and impurities in the formation of crystals between bilayer graphene upon alkali metal atom intercalation, WE-Heraeus-Seminar, Bad Honnef, Germany (May 2023).
FIB Summer School, Simulations of ion-solid interaction, Brno, Czech Republic (June 2022).
Tuning structural and electronic properties of two-dimensional transition-metal dichalcogenides, Invited Seminar, Asia Pacific Center for Theoretical Physics (APCTP), Korea (June 2021).
Modulation of electronic, transport and catalytic properties of two-dimensional materials, Invited Seminar, Department of Molecular Sciences and Nanosystems, Università Ca' Foscari Venezia, Italy (May 2021).
Defect engineering in two-dimensional materials, International e-congress on Nanoscience & Nanotechnology, Mashhad, Iran (February 2021).
Electrochemical energy storage and conversion in van der Waals materials, Invited Seminar in Theory of Condensed Matter, Cavendish Laboratory, University of Cambridge, UK (February 2021).
Defect engineering in 2D materials: from fundamentals to applications, IV International Symposium of Modern Material Science (Keynote Speaker), Moscow, Russia (November 2020).
Dense storage of alkali metals between graphene and MoS2 bilayers: a computational study, Physics Boat 2019, Helsinki, Finland (May 2019).
Ion beam modification of single-layer transition metal dichalcogenides, Towards Reality in Nanoscale Materials X, Levi, Finland (February 2019).
Evaluation of defects in two-dimensional MoTe2: from point to extended defects, DPG Spring Meeting, Technical University of Berlin, Germany (March 2018).
Ion-beam mediated patterning of MoS2 monolayers, Flatlands 2017, EPFL, Lausanne, Switzerland (August 2017).
Ion-beam mediated patterning of MoS2 monolayers, DPG Spring Meeting, Technical University of Dresden, Germany (March 2017).
M. Ghorbani-Asl, Transition-metal dichalcogenides under ion irradiation: from defects to atomic structure engineering, MRS Spring Meeting, Phoenix, USA (April 2017).
Tuning electronic and transport properties of layered transition-metal chalcogenides, Theoretical Chemistry Seminar, Technical University Dresden, Dresden, Germany (July 2016).
A computational study of the quantum transport properties through a Cu-CNT composite, E-MRS, spring meeting, Lille, France (May 2016).
Electronic transport through two-dimensional transition-metal chalcogenides, Miniworkshop on simulations of thermoelectric materials, Dresden, Germany (February 2016) .
M. Ghorbani-Asl, UltraWire Open Day 2015 Workshop, Modeling of copper and copper nanocarbon system: towards understanding the electron transport in the composite system, University of Cambridge, Cambridge, UK (September 2015).
M. Ghorbani-Asl, Tuning electronic properties of low-dimensional transition-metal dichalcogenides, Special Seminar, University of Konstanz, Germany (April 2014).
Electron conductance with the NEGF approach, CECAM Workshop, Two-dimensional inorganic materials (2DIM): property simulations from band structure to devices, Lausanne, Switzerland (January 2014).
Electron transport through low-dimensional structures of transition metal dichalcogenides, International Physics School: Fundamentals of Nanoelectronics, Tenerife, Spain (February 2012).
Effect of edge reconstruction in the electronic transport through transition metal dichalcogenide nanoribbons, DPG Spring Meeting, Technical University of Berlin, Germany (March 2012).