33 results on '"Ghaderzadeh, S."'
Search Results
2. Production of defects in two-dimensional materials under ion and electron irradiation: insights from advanced first-principles calculations Annual report on ‘Bundesprojekt’ ACID 44172 (Def-2-Dim) : Annual report on ‘Bundesprojekt’ ACID 44172 (Def-2-Dim)
- Author
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Kretschmer, S., Joseph, T., Ghaderzadeh, S., Wei, Y., Ghorbani-Asl, M., Krasheninnikov, A. V., Nagel, Wolfgang E., editor, Kröner, Dietmar H., editor, and Resch, Michael M., editor
- Published
- 2023
- Full Text
- View/download PDF
3. Strain-modulated defect engineering of two-dimensional materials
- Author
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Santra, P., Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., Komsa, H.-P., Besley, E., (0000-0003-0074-7588) Krasheninnikov, A., Santra, P., Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., Komsa, H.-P., Besley, E., and (0000-0003-0074-7588) Krasheninnikov, A.
- Abstract
Strain- and defect-engineering are two powerful approaches to tailor the opto-electronic properties of two-dimensional (2D) materials, but the relationship between applied mechanical strain and behavior of defects in these systems remains elusive. Using first-principles calculations, we study the response to external strain of $h$-BN, graphene, MoSe$_2$, and phosphorene, four archetypal 2D materials, which contain substitutional impurities. We find that the formation energy of the defect structures can either increase or decrease with bi-axial strain, depending on the atomic radius of the impurity atom, which can be larger or smaller than that of the host atom. Analysis of the strain maps indicates that this behaviour is associated with the compressive or tensile local strains produced by the impurities that interfere with the external strain. We further show that the change in the defect formation energy is related to the change in elastic moduli of the 2D materials upon introduction of impurity, which can correspondingly increase or decrease. The discovered trends are consistent across all studied 2D materials and are likely to be general. Our findings open up opportunities for combined strain- and defect-engineering to tailor the opto-electronic properties of 2D materials, and specifically, the location and properties of single-photon emitters.
- Published
- 2024
4. Polymorphic Phases of Metal Chlorides in the Confined 2D Space of Bilayer Graphene
- Author
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Lin, Y.-C., Motoyama, A., (0000-0002-5098-5763) Kretschmer, S., Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., Araki, Y., (0000-0003-0074-7588) Krasheninnikov, A., Ago, H., Suenaga, K., Lin, Y.-C., Motoyama, A., (0000-0002-5098-5763) Kretschmer, S., Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., Araki, Y., (0000-0003-0074-7588) Krasheninnikov, A., Ago, H., and Suenaga, K.
- Abstract
Unprecedented two-dimensional (2D) metal chloride structures were grown between sheets of bilayer graphene through intercalation of metal and chlorine atoms. Numerous spatially confined 2D phases of AlCl3 and CuCl2 distinct from their typical bulk forms were found, and the transformations between these new phases under the electron beam were directly observed by in situ scanning transmission electron microscopy (STEM). Our density functional theory calculations confirmed the metastability of the atomic structures derived from the STEM experiments and provided insights into the electronic properties of the phases, which range from insulators to semimetals. Additionally, the co-intercalation of different metal chlorides was found to create completely new hybrid systems; in-plane quasi-1D AlCl3/CuCl2 heterostructures were obtained. The existence of polymorphic phases hints at the unique possibilities for fabricating new types of 2D materials with diverse electronic properties confined between graphene sheets.
- Published
- 2021
5. Controlled Generation of Luminescent Centers in Hexagonal Boron Nitride by Irradiation Engineering
- Author
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Fischer, M., Caridad, J. M., Sajid, A., Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., Gammelgaard, L., Bøggild, P., Thygesen, K. S., (0000-0003-0074-7588) Krasheninnikov, A., Xiao, S., Wubs, M., Stenger, N., Fischer, M., Caridad, J. M., Sajid, A., Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., Gammelgaard, L., Bøggild, P., Thygesen, K. S., (0000-0003-0074-7588) Krasheninnikov, A., Xiao, S., Wubs, M., and Stenger, N.
- Abstract
Luminescent centres in the two-dimensional material hexagonal boron nitride have the potential to enable quantum applications at room temperature. In order to be utilized for applications it is crucial to generate these centres in a controlled manner and to identify their microscopic nature. Here we present a novel method inspired by irradiation engineering with oxygen atoms. We explore systematically the influence of the kinetic energy and the irradiation fluence on the generation of luminescent centres. We find modifications of their density for both parameters while a five-fold enhancement is observed with increasing fluence. Molecular dynamics simulations clarify the generation mechanism of these centres and their microscopic nature. We infer that V_N C_B and V_B are the most likely centres formed. Ab initio calculations of their optical properties show excellent agreement with our experiments. Our methodology generates quantum emitters in a controlled manner and provides new insights into their microscopic nature.
- Published
- 2021
6. Atomistic Simulations of Defect Production in Monolayer and Bulk Hexagonal Boron Nitride under Low- and High-Fluence Ion Irradiation
- Author
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(0000-0003-4416-7147) Ghaderzadeh, S., (0000-0002-5098-5763) Kretschmer, S., (0000-0003-3060-4369) Ghorbani Asl, M., (0000-0001-7192-716X) Hlawacek, G., (0000-0003-0074-7588) Krasheninnikov, A., (0000-0003-4416-7147) Ghaderzadeh, S., (0000-0002-5098-5763) Kretschmer, S., (0000-0003-3060-4369) Ghorbani Asl, M., (0000-0001-7192-716X) Hlawacek, G., and (0000-0003-0074-7588) Krasheninnikov, A.
- Abstract
Controlled production of defects in hexagonal boron nitride (h-BN) through ion irradiation has recently been demonstrated to be an effective tool for adding new functionalitites to this material such as single photon generation and for developing optical quantum applications. Using analytical potential molecular dynamics, we study the mechanisms of vacancy creation in single- and multi-layer h-BN under low- and high-fluence ion irradiation. Our results quantify the densities of defects produced by noble gas ions in a wide range of ion energies and elucidate the types and distribution of defects in the target. The simulation data can directly be used to guide the experiment aimed at the creation of defects of particular types in h-BN targets for single-photon emission, spin-selective optical transitions and other applications by using beams of energetic ions.
- Published
- 2021
7. Controlled generation of luminescent centers in hexagonal boron nitride by irradiation engineering
- Author
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Fischer, M., primary, Caridad, J. M., additional, Sajid, A., additional, Ghaderzadeh, S., additional, Ghorbani-Asl, M., additional, Gammelgaard, L., additional, Bøggild, P., additional, Thygesen, K. S., additional, Krasheninnikov, A. V., additional, Xiao, S., additional, Wubs, M., additional, and Stenger, N., additional
- Published
- 2021
- Full Text
- View/download PDF
8. Si nanopillar deformation by heavy polyatomic ion impacts
- Author
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Bischoff, L., Pilz, W., Engelmann, H.-J., Xu, X., Möller, W., Heinig, K.-H., Ghaderzadeh, S., Hlawacek, G., Gharbi, A., and Tiron, R.
- Subjects
FIB ,Single Electron Transistors ,Si nanopillars ,Liquid Metal Alloy Ion Source [ - Abstract
Si nanopillars for the fabrication of vertical nanowire gate-all-around Single Electron Transistors [1], have been irradiated with Si++, Pb+, Pb++, Au +, Au++, Au2 +, and Au3 + ions accelerated by 30 kV. A FIB of mass separated ions, extracted from a Liquid Metal Alloy Ion Source [2], has been scanned over regular arrays of Si nanopillars of different diameters and pillar distances. The irradiations have been performed at RT and 400∘C. Different morphological changes of the pillars like thinning, height reduction, tilting etc. have been observed which can be attributed to ion erosion (sputtering), impact-induced viscous flow or even transient nanosecond-scale melting [3]. The pillars were imaged by AFM, SEM, TEM and HIM. 3D Monte Carlo simulations [4] of ion and recoil trajectories based on the Binary Collision Approximation and Molecular Dynamics calculations have been carried out in order to discriminate the dominating processes. [1] EU project Ions4SET, Horizon 2020 grant No. 688072 [2] L.Bischoff, et al., Appl. Phys. Rev. 3 (2016) 021101 [3] C. Anders, K.-H. Heinig, H. Urbassek, Phys. Rev. B87 (2013) 245434 [4] W. Möller,NIM B322 (2014) 23
- Published
- 2020
9. Si nanopillar deformation by heavy polyatomic ion impacts
- Author
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(0000-0003-3968-7498) Bischoff, L., Pilz, W., Engelmann, H.-J., (0000-0003-2175-2300) Xu, X., Möller, W., Heinig, K.-H., (0000-0003-4416-7147) Ghaderzadeh, S., (0000-0001-7192-716X) Hlawacek, G., Gharbi, A., Tiron, R., (0000-0003-3968-7498) Bischoff, L., Pilz, W., Engelmann, H.-J., (0000-0003-2175-2300) Xu, X., Möller, W., Heinig, K.-H., (0000-0003-4416-7147) Ghaderzadeh, S., (0000-0001-7192-716X) Hlawacek, G., Gharbi, A., and Tiron, R.
- Abstract
Si nanopillars for the fabrication of vertical nanowire gate-all-around Single Electron Transistors [1], have been irradiated with Si++, Pb+, Pb++, Au +, Au++, Au2 +, and Au3 + ions accelerated by 30 kV. A FIB of mass separated ions, extracted from a Liquid Metal Alloy Ion Source [2], has been scanned over regular arrays of Si nanopillars of different diameters and pillar distances. The irradiations have been performed at RT and 400∘C. Different morphological changes of the pillars like thinning, height reduction, tilting etc. have been observed which can be attributed to ion erosion (sputtering), impact-induced viscous flow or even transient nanosecond-scale melting [3]. The pillars were imaged by AFM, SEM, TEM and HIM. 3D Monte Carlo simulations [4] of ion and recoil trajectories based on the Binary Collision Approximation and Molecular Dynamics calculations have been carried out in order to discriminate the dominating processes. [1] EU project Ions4SET, Horizon 2020 grant No. 688072 [2] L.Bischoff, et al., Appl. Phys. Rev. 3 (2016) 021101 [3] C. Anders, K.-H. Heinig, H. Urbassek, Phys. Rev. B87 (2013) 245434 [4] W. Möller,NIM B322 (2014) 23
- Published
- 2020
10. Channeling effects in gold nano-clusters under He ion irradiation: insights from molecular dynamics simulations
- Author
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(0000-0003-4416-7147) Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., (0000-0002-5098-5763) Kretschmer, S., (0000-0001-7192-716X) Hlawacek, G., (0000-0003-0074-7588) Krasheninnikov, A., (0000-0003-4416-7147) Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., (0000-0002-5098-5763) Kretschmer, S., (0000-0001-7192-716X) Hlawacek, G., and (0000-0003-0074-7588) Krasheninnikov, A.
- Abstract
The interpretation of helium ion microscopy (HIM) images of crystalline metal clusters requires microscopic understanding of the effects of He ion irradiation on the system, including energy deposition and associated heating, as well as channeling patterns. While channeling in bulk metals has been studied at length, there is no quantitative data for small clusters. We carry out molecular dynamics simulations to investigate the behavior of gold nano-particles with diameters of 5–15 nm under 30 keV He ion irradiation. We show that impacts of the ions can give rise to substantial heating of the clusters through deposition of energy into electronic degrees of freedom, but it does not affect channeling, as clusters cool down between consecutive impact of the ions under typical imaging conditions. At the same time, high temperatures and small cluster sizes should give rise to fast annealing of defects so that the system remains crystalline. Our results show that ion-channeling occurs not only in the principal low-index, but also in the intermediate directions. The strengths of different channels are specified, and their correlations with sputtering-yield and damage production is discussed, along with size-dependence of these properties. The effects of planar defects, such as stacking faults on channeling were also investigated. Finally, we discuss the implications of our results for the analysis of HIM images of metal clusters.
- Published
- 2020
11. Freestanding and Supported MoS2 Monolayers under Cluster Irradiation: Insights from Molecular Dynamics Simulation
- Author
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(0000-0003-4416-7147) Ghaderzadeh, S., Ladygin, V., (0000-0003-3060-4369) Ghorbani Asl, M., (0000-0001-7192-716X) Hlawacek, G., (0000-0002-5785-1186) Schleberger, M., (0000-0003-0074-7588) Krasheninnikov, A., (0000-0003-4416-7147) Ghaderzadeh, S., Ladygin, V., (0000-0003-3060-4369) Ghorbani Asl, M., (0000-0001-7192-716X) Hlawacek, G., (0000-0002-5785-1186) Schleberger, M., and (0000-0003-0074-7588) Krasheninnikov, A.
- Abstract
Two-dimensional (2D) materials with nanometer-size holes are promising systems for DNA sequencing, water purification, and molecule selection/separation. However, controllable creation of holes with uniform sizes and shapes is still a challenge, especially when the 2D material consists of several atomic layers as, e.g., MoS2, the archetypical transition metal dichalcogenide.We use analytical potential molecular dynamics simulations to study the response of 2D MoS2tocluster irradiation. We model both freestanding and supported sheets and assess the amount of damage created in MoS2by the impacts of noble gas clusters in a wide range of cluster energies and incident angles. We show that cluster irradiation can be used to produce uniform holes in 2DMoS2with the diameter being dependent on cluster size and energy. Energetic clusters can also beused to displace sulfur atoms preferentially from either top or bottom layers of S atoms in MoS2and also clean the surface of MoS2sheets from adsorbents. Our results for MoS2, which should be relevant to other 2D transition metal dichalcogenides, suggest new routes toward cluster beam engineering of devices based on 2Dinorganic materials.
- Published
- 2020
12. Effects of gold nanoclusters under He ion irradiation: a molecular dynamics study
- Author
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Ghaderzadeh, S., Ghorbani Asl, M., Hlawacek, G., and Krasheninnikov, A.
- Subjects
Nano particles ,Physics::Plasma Physics ,Ion irradiation ,Channeling effect ,Helium Ion Microscope - Abstract
Ion channeling is a well-known effect in ion irradiation processes, which is a result of ion moving between the rows of atoms. It drastically affects the ion distribution, ion energy-loss and consequently the damage production in the target. Therefore one could derive the ion-channeling pattern out of the energy-loss behavior of ion-target interaction. Ion channeling effect is studied for a few pure element crystals and also for some compounds in a systematic way [1]. In this work, we focus on nano-structures which are of major importance, due to their high surface-to-volume ratio. Our results, for different gold cluster sizes, show that ion-channeling occurs not only in the principal low-index, but also in other directions in between. The strengths of different channels are specified, and their correlations with sputtering-yield and damage production is discussed.
- Published
- 2019
13. Effects of He ion irradiation on gold nanoclusters: a Molecular Dynamics study
- Author
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Ghaderzadeh, S., Ghorbani Asl, M., Kretschmer, S., Hlawacek, G., and Krasheninnikov, A.
- Subjects
Nano particles ,Ion irradiation ,Channeling effect ,Helium Ion Microscope - Abstract
The interpretation of helium ion microscopy (HIM) images of crystalline metal clusters requires microscopic understanding of the effects of He ion irradiation on the system, including energy deposition and associated heating, as well as channeling patterns. While channeling in bulk metals has been studied at length, there is no quantitative data for small clusters. We carry out molecular dynamics simulations to investigate the behavior of gold nano-particles with diameters of 5–15 nm under 30 keV He ion irradiation. We show that impacts of the ions can give rise to substantial heating of the clusters through deposition of energy into electronic degrees of freedom, but it does not affect channeling, as clusters cool down between consecutive impact of the ions under typical imaging conditions. At the same time, high temperatures and small cluster sizes should give rise to fast annealing of defects so that the system remains crystalline. Our results show that ion-channeling occurs not only in the principal low-index, but also in the intermediate directions. The strengths of different channels are specified, and their correlations with sputtering-yield and damage production is discussed, along with size-dependence of these properties. The effects of planar defects, such as stacking faults on channeling were also investigated. Finally, we discuss the implications of our results for the analysis of HIM images of metal clusters.
- Published
- 2019
14. Effects of gold nanoclusters under He ion irradiation: a molecular dynamics study
- Author
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(0000-0003-4416-7147) Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., (0000-0001-7192-716X) Hlawacek, G., (0000-0003-0074-7588) Krasheninnikov, A., (0000-0003-4416-7147) Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., (0000-0001-7192-716X) Hlawacek, G., and (0000-0003-0074-7588) Krasheninnikov, A.
- Abstract
Ion channeling is a well-known effect in ion irradiation processes, which is a result of ion moving between the rows of atoms. It drastically affects the ion distribution, ion energy-loss and consequently the damage production in the target. Therefore one could derive the ion-channeling pattern out of the energy-loss behavior of ion-target interaction. Ion channeling effect is studied for a few pure element crystals and also for some compounds in a systematic way [1]. In this work, we focus on nano-structures which are of major importance, due to their high surface-to-volume ratio. Our results, for different gold cluster sizes, show that ion-channeling occurs not only in the principal low-index, but also in other directions in between. The strengths of different channels are specified, and their correlations with sputtering-yield and damage production is discussed.
- Published
- 2019
15. Effects of He ion irradiation on gold nanoclusters: a Molecular Dynamics study
- Author
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(0000-0003-4416-7147) Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., (0000-0002-5098-5763) Kretschmer, S., (0000-0001-7192-716X) Hlawacek, G., (0000-0003-0074-7588) Krasheninnikov, A., (0000-0003-4416-7147) Ghaderzadeh, S., (0000-0003-3060-4369) Ghorbani Asl, M., (0000-0002-5098-5763) Kretschmer, S., (0000-0001-7192-716X) Hlawacek, G., and (0000-0003-0074-7588) Krasheninnikov, A.
- Abstract
The interpretation of helium ion microscopy (HIM) images of crystalline metal clusters requires microscopic understanding of the effects of He ion irradiation on the system, including energy deposition and associated heating, as well as channeling patterns. While channeling in bulk metals has been studied at length, there is no quantitative data for small clusters. We carry out molecular dynamics simulations to investigate the behavior of gold nano-particles with diameters of 5–15 nm under 30 keV He ion irradiation. We show that impacts of the ions can give rise to substantial heating of the clusters through deposition of energy into electronic degrees of freedom, but it does not affect channeling, as clusters cool down between consecutive impact of the ions under typical imaging conditions. At the same time, high temperatures and small cluster sizes should give rise to fast annealing of defects so that the system remains crystalline. Our results show that ion-channeling occurs not only in the principal low-index, but also in the intermediate directions. The strengths of different channels are specified, and their correlations with sputtering-yield and damage production is discussed, along with size-dependence of these properties. The effects of planar defects, such as stacking faults on channeling were also investigated. Finally, we discuss the implications of our results for the analysis of HIM images of metal clusters.
- Published
- 2019
16. 2D Materials Under Ion Irradiation: In-situ Experiments and the Role of the Substrate
- Author
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Hlawacek, G., Kretschmer, S., Maslov, M., Ghaderzadeh, S., Ghorbani-Asl, M., and Krasheninnikov, A. V.
- Subjects
Simulations ,him ,2D - Abstract
Helium ion Microscopy (HIM) is frequently used for the fabrication of 2D nanostructures in graphene, MoS 2 and other materials. While some of the experiments are carried out with freestanding materials most of the work is done on supported material. While the defect production is understood for the former case, it is not fully understood in the latter setup. We used a combination of analytical potential molecular dynamics and Monte Carlo simulations to elucidate the role of the different damage channels, namely primary ions, backscattered atoms and sputtered substrate atoms. Using this approach we looked at the defect production by helium and neon ions in MoS 2 and graphene supported by SiO 2 at typical energies used in HIM. We show that depending on ion species and energy defect production for supported 2D materials can be dominated by sputtered atoms from the support, rather than direct damage induced by the primary ion beam. We also evaluated the consequences of these additional damage mechanisms on the achievable lateral resolution for HIM based defect engineering and nano-fabrication in 2D materials. The obtained results agree well with experimental results obtained by in-situ and ex-situ characterization of defects in graphene and MoS 2 .
- Published
- 2018
17. Molecular Dynamics simulations of 30 keV He impacts on gold nano-clusters
- Author
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Ghaderzadeh, S., Hlawacek, G., and Krasheninnikov, A.
- Subjects
Physics::Plasma Physics ,nanostructures ,HIM ,simulations ,channeling - Abstract
At the Helmholtz-Zentrum Dresden-Rossendorf, molecular dynamics computer simulations are employed to study the sputtering yield and channeling effects in Gold nano-clusters of different sizes. Primary ion energy and crystal orientation are varied to obtain a holistic image of the possible effects relevant for scanning transmission ion microscopy. Our results show that ion-channeling occurs not only in the principal low-index, but also in other directions in between. The strengths of different channels are specifed, and their correlations with sputtering yield and damage production is addressed. The figure below shows sputtering under 30 keV He ion irradiation of 5 nm Gold nano-clusters.
- Published
- 2018
18. Supported Two-Dimensional Materials under Ion Irradiation: the Substrate Governs Defect Production
- Author
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Kretschmer, S., Maslov, M., Ghaderzadeh, S., Ghorbani-Asl, M., Hlawacek, G., Krasheninnikov, A. V., Kretschmer, S., Maslov, M., Ghaderzadeh, S., Ghorbani-Asl, M., Hlawacek, G., and Krasheninnikov, A. V.
- Abstract
Focused ion beams perfectly suit for patterning two-dimensional (2D) materials, but the optimization of irradiation parameters requires full microscopic understanding of defect production mechanisms. Contrary to free-standing 2D systems, the details of damage creation in supported 2D materials are not fully understood, while the majority of experiments have been carried out for 2D targets deposited on substrates. Here we suggest a universal and computationally efficient scheme to model the irradiation of supported 2D materials, which combines analytical potential molecular dynamics with Monte Carlo (MC) simulations, which makes it possible to assess independently the contributions to the damage from backscattered ions and atoms sputtered from the substrate. Using the scheme, we study defect production in graphene and MoS₂ sheets, which are the two most important and wide-spread 2D materials, deposited on a SiO₂ substrate. For helium and neon ions with a wide range of initial ion energies including those used in commercial helium ion microscope (HIM), we demonstrate that depending on ion energy and mass, defect production in 2D systems can be dominated by backscattered ions and sputtered substrate atoms rather than by the direct ion impacts, and that the amount of damage in 2D materials heavily depends on whether a substrate is present or not. We also study the factors which limit the spatial resolution of the patterning process. Our results, which agree well with the available experimental data, provide not only insights into defect production, but also quantitative information, which can be used for the minimization of damage during imaging in HIM or optimization of the patterning process.
- Published
- 2018
19. HeFIB 2018: Helium and emerging focused ion beams
- Author
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Hlawacek, G., Facsko, S., Bischoff, L., Klingner, N., Xu, X., Serralta, E., Ghaderzadeh, S., Hlawacek, G., Facsko, S., Bischoff, L., Klingner, N., Xu, X., Serralta, E., and Ghaderzadeh, S.
- Abstract
Gas field ion sources (GFIS) using helium and neon as ion species are new and rapidly growing ion beam techniques. However, GFIS based focused ion beams (FIB) are not the only new ion beam techniques offering new capabilities that go beyond what classic Ga based FIB can do. Based on the contributions to the recently held meeting on Helium and Emerging Focused Ion Beams (HeFIB) I will report on the newest developments in this field. I will try to highlight new technological developments in the field of GFIS based FIBs, but also present new and emerging alternative FIB source techniques such as Laser cooled sources, liquid metal alloy source, or Xe plasma FIBs. However, such new techniques also open up many new application fields. I will present selected examples of in which focused ion beams have been used for imaging, localized materials modification as well as classical FIB based fabrication of nano- structures.
- Published
- 2018
20. Correlation Effects of Nano Selenium and Conjugated Linoleic Acid on the Performance, Lipid Metabolism and Immune System of Male Moghani Lambs.
- Author
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Ghaderzadeh, S., Aghjegheshlagh, F. Mirzaei, Nikbin, S., and Navidshad, B.
- Subjects
- *
LINOLEIC acid , *LIPID metabolism , *TRIGLYCERIDES , *LAMBS , *PEROXISOME proliferator-activated receptors , *SELENIUM , *IMMUNE system , *CONJUGATED linoleic acid - Abstract
This study was carried out to evaluate the effects of nano selenium (nano-Se) and conjugated linoleic acid (CLA) on performance, biometric and blood parameters and selenoprotein W1 (SEPW1) and lipid gene expression in male Moghani lambs. Thirty male Moghani lambs, 3-months-old and weighing 30 ± 0.25 kg, were used in completely randomized design in a 2 x 3 factorial arrangement with dietary supplemental the CLA (0 and 15 g/kg DM) and nano-Se (0, 1 and 2 mg/kg DM). The lambs were slaughtered on day 90 (end of experiment). Feeding a mixture of CLA and nano-Se tended to reduce the body weight of lambs comparing to the control group. The experimental diets had no impact on biometric parameters. Some blood parameters like high density lipoprotein (HDL), low density lipoprotein (LDL), thyroxine (T4), triiodothyronine (T3) and glutathione peroxidase (GPx) and glutathione peroxidase depended on dietary nano-Se supplementation (P<0.05); but glucose, triglycerides (TG), very low density lipoprotein (VLDL), total protein (TP) and cholesterol had no considerable effects. The results of qPCR analysis showed that nano-Se supplemental at highest level (2 mg/kg DM) increased gene expression of GPX1 and SEPW1 in liver (P<0.05). Dietary inclusion of CLA enhanced the peroxisome proliferator-activated receptor gamma expression and decreased stearoyl COA desaturase 1 genes in tail (P<0.01). In conclusion, nano-Se and CLA differently increased the gene expression in liver and tail and had good impacts on some blood parameters; suggesting that nano-Se and CLA have not synergism interaction in the above parameters. [ABSTRACT FROM AUTHOR]
- Published
- 2019
21. A Review on Properties of Selenium in Animal Nutrition.
- Author
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Ghaderzadeh, S., Aghjeh-Gheshlagh, F. Mirzaei, Nikbin, S., and Navidshad, B.
- Subjects
- *
SELENIUM in animal nutrition , *ANIMAL health , *OXIDATIVE stress , *DEFENSE reaction (Physiology) , *ANIMAL reproduction - Abstract
The early interest in selenium (Se) focused on its toxicity, but since 1957 it has been recognized as an essential dietary element. The diet is the major Se source and approximately 80% of dietary Se is absorbed, depending on the type of food consumed. In several regions of the world, the content of Se in diets has been estimated as insufficient. The dietary requirement for Se for most species is about 0.3 ppm. Deficiencies of Se in animals have been confirmed under natural grazing conditions in many countries. Symptoms of deficiencies such as white muscle disease occur primarily in young calves or lambs born in low Se regions and thus we need to provide sufficient amounts in animal diets. Numerous studies have demonstrated that Se plays an important role in animal health. Therefore, this review gives a brief outline of the current information on the physical, chemical and metabolic properties of Se, oxidative stress, antioxidant defense, dietary requirement, deficiency, toxicity and effects of Se on fertility and performance. [ABSTRACT FROM AUTHOR]
- Published
- 2016
22. A descriptor guiding the selection of catalyst supports for ammonia synthesis.
- Author
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Weilhard A, Popov I, Kohlrausch EC, Aliev GN, Blankenship LS, Norman LT, Ghaderzadeh S, Smith L, Isaacs M, O'Shea J, Lanterna AE, Theis W, Morgan D, Hutchings GJ, Besley E, Khlobystov AN, and Alves Fernandes J
- Abstract
The efforts to increase the active surface area of catalysts led to reduction of metal particle size, down to single metal atoms. This results in increasing importance of support-metal interactions. We demonstrate the mechanisms through which the support influences catalytic activity of nanoclusters: the support electronics, described by the O 2p energy level, and the support surface chemistry, determined by the density of Lewis base sites. Using Ru nanoclusters, our study shows that these parameters can be effectively captured within a single catalyst support descriptor (CSD). The apparent activation energy and turnover frequency (TOF) for the ammonia synthesis correlates strongly with CSD measured for the series Ru/MgO, Ru/Sc
2 O3 , Ru/CeO2 , Ru/La2 O3 , and Ru/Y2 O3 . Furthermore, the study demonstrates that CSD correlates linearly with the binding strength of N-Ru in nanocluster, thereby providing a direct link between the catalyst's surface chemistry and the nature of the support. The catalyst support descriptor developed in this study serves as a simple yet powerful tool for selecting the optimal support material to maximise the activity of metal nanoclusters without altering the metal itself., Competing Interests: The authors declare no competing interests., (This journal is © The Royal Society of Chemistry.)- Published
- 2025
- Full Text
- View/download PDF
23. Evolution of amorphous ruthenium nanoclusters into stepped truncated nano-pyramids on graphitic surfaces boosts hydrogen production from ammonia.
- Author
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Chen Y, Young BJ, Aliev GN, Kordatos A, Popov I, Ghaderzadeh S, Liddy TJ, Cull WJ, Kohlrausch EC, Weilhard A, Hutchings GJ, Besley E, Theis W, Alves Fernandes J, and Khlobystov AN
- Abstract
Atomic-scale changes can significantly impact heterogeneous catalysis, yet their atomic mechanisms are challenging to establish using conventional analysis methods. By using identical location scanning transmission electron microscopy (IL-STEM), which provides quantitative information at the single-particle level, we investigated the mechanisms of atomic evolution of Ru nanoclusters during the ammonia decomposition reaction. Nanometre-sized disordered nanoclusters transform into truncated nano-pyramids with stepped edges, leading to increased hydrogen production from ammonia. IL-STEM imaging demonstrated coalescence and Ostwald ripening as mechanisms of nanocluster pyramidalization during the activation stage, with coalescence becoming the primary mechanism under the reaction conditions. Single Ru atoms, a co-product of the catalyst activation, become absorbed by the nano-pyramids, improving their atomic ordering. Ru nano-pyramids with a 2-3 nm
2 footprint consisting of 3-5 atomic layers, ensure the maximum concentration of active sites necessary for the rate-determining step. Importantly, the growth of truncated pyramids typically does not exceed a footprint of approximately 4 nm2 even after 12 hours of the reaction, indicating their high stability and explaining ruthenium's superior activity on nanotextured graphitic carbon compared to other support materials. The structural evolution of nanometer-sized metal clusters with a large fraction of surface atoms is qualitatively different from traditional several-nm nanoparticles, where surface atoms are a minority, and it offers a blueprint for the design of active and sustainable catalysts necessary for hydrogen production from ammonia, which is becoming one of the critical reactions for net-zero technologies., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)- Published
- 2025
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24. Direct formation of copper nanoparticles from atoms at graphitic step edges lowers overpotential and improves selectivity of electrocatalytic CO 2 reduction.
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Burwell T, Thangamuthu M, Aliev GN, Ghaderzadeh S, Kohlrausch EC, Chen Y, Theis W, Norman LT, Fernandes JA, Besley E, Licence P, and Khlobystov AN
- Abstract
A key strategy for minimizing our reliance on precious metals is to increase the fraction of surface atoms and improve the metal-support interface. In this work, we employ a solvent/ligand/counterion-free method to deposit copper in the atomic form directly onto a nanotextured surface of graphitized carbon nanofibers (GNFs). Our results demonstrate that under these conditions, copper atoms coalesce into nanoparticles securely anchored to the graphitic step edges, limiting their growth to 2-5 nm. The resultant hybrid Cu/GNF material displays high selectivity in the CO
2 reduction reaction (CO2 RR) for formate production with a faradaic efficiency of ~94% at -0.38 V vs RHE and a high turnover frequency of 2.78 × 106 h-1 . The Cu nanoparticles adhered to the graphitic step edges significantly enhance electron transfer to CO2 . Long-term CO2 RR tests coupled with atomic-scale elucidation of changes in Cu/GNF reveal nanoparticles coarsening, and a simultaneous increase in the fraction of single Cu atoms. These changes in the catalyst structure make the onset of the CO2 reduction potential more negative, leading to less formate production at -0.38 V vs RHE, correlating with a less efficient competition of CO2 with H2 O for adsorption on single Cu atoms on the graphitic surfaces, revealed by density functional theory calculations., (© 2024. Crown.)- Published
- 2024
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25. Chemical Kinetics of Metal Single Atom and Nanocluster Formation on Surfaces: An Example of Pt on Hexagonal Boron Nitride.
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Popov I, Ghaderzadeh S, Kohlrausch EC, Norman LT, Slater TJA, Aliev GN, Alhabeadi H, Kaplan A, Theis W, Khlobystov AN, Fernandes JA, and Besley E
- Abstract
The production of atomically dispersed metal catalysts remains a significant challenge in the field of heterogeneous catalysis due to coexistence with continuously packed sites such as nanoclusters and nanoparticles. This work presents a comprehensive guidance on how to increase the degree of atomization through a selection of appropriate experimental conditions and supports. It is based on a rigorous macro-kinetic theory that captures relevant competing processes of nucleation and formation of single atoms stabilized by point defects. The effects of metal-support interactions and deposition parameters on the resulting single atom to nanocluster ratio as well as the role of metal centers formed on point defects in the kinetics of nucleation have been established, thus paving the way to guided synthesis of single atom catalysts. The predictions are supported by experimental results on sputter deposition of Pt on exfoliated hexagonal boron nitride, as imaged by aberration-corrected scanning transmission electron microscopy.
- Published
- 2023
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26. Threshold Ion Energies for Creating Defects in 2D Materials from First-Principles Calculations: Chemical Interactions Are Important.
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Kretschmer S, Ghaderzadeh S, Facsko S, and Krasheninnikov AV
- Abstract
The characteristics of two-dimensional (2D) materials can be tuned by low-energy ion irradiation provided that the ion energy is correctly chosen. The optimum ion energy is related to E
th ion , the minimum kinetic energy the ion should have to displace an atom from the material. Eth ion can be assessed using the binary collision approximation (BCA) when the displacement threshold of the atom is known. However, for some ions the experimental data contradict the BCA results. Using density functional theory molecular dynamics (DFT-MD), we study the collisions of low-energy ions with graphene and hexagonal boron nitride and demonstrate that the BCA can strongly overestimate Eth ion because energy transfer takes a finite time, and therefore, chemical interactions of the ion with the target are important. Finally, for all projectiles from H up to Ar, we calculate the values of Eth ion required to displace an atom from graphene and h-BN, the archetypal 2D materials.- Published
- 2022
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27. Polymorphic Phases of Metal Chlorides in the Confined 2D Space of Bilayer Graphene.
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Lin YC, Motoyama A, Kretschmer S, Ghaderzadeh S, Ghorbani-Asl M, Araki Y, Krasheninnikov AV, Ago H, and Suenaga K
- Abstract
Unprecedented 2D metal chloride structures are grown between sheets of bilayer graphene through intercalation of metal and chlorine atoms. Numerous spatially confined 2D phases of AlCl
3 and CuCl2 distinct from their typical bulk forms are found, and the transformations between these new phases under the electron beam are directly observed by in situ scanning transmission electron microscopy (STEM). The density functional theory calculations confirm the metastability of the atomic structures derived from the STEM experiments and provide insights into the electronic properties of the phases, which range from insulators to semimetals. Additionally, the co-intercalation of different metal chlorides is found to create completely new hybrid systems; in-plane quasi-1D AlCl3 /CuCl2 heterostructures are obtained. The existence of polymorphic phases hints at the unique possibilities for fabricating new types of 2D materials with diverse electronic properties confined between graphene sheets., (© 2021 Wiley-VCH GmbH.)- Published
- 2021
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28. Atomistic Simulations of Defect Production in Monolayer and Bulk Hexagonal Boron Nitride under Low- and High-Fluence Ion Irradiation.
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Ghaderzadeh S, Kretschmer S, Ghorbani-Asl M, Hlawacek G, and Krasheninnikov AV
- Abstract
Controlled production of defects in hexagonal boron nitride (h-BN) through ion irradiation has recently been demonstrated to be an effective tool for adding new functionalities to this material, such as single-photon generation, and for developing optical quantum applications. Using analytical potential molecular dynamics, we study the mechanisms of vacancy creation in single- and multi-layer h-BN under low- and high-fluence ion irradiation. Our results quantify the densities of defects produced by noble gas ions in a wide range of ion energies and elucidate the types and distribution of defects in the target. The simulation data can directly be used to guide the experiment aimed at the creation of defects of particular types in h-BN targets for single-photon emission, spin-selective optical transitions and other applications by using beams of energetic ions.
- Published
- 2021
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29. Red beet extract usage in gelatin/gellan based gummy candy formulation introducing Salix aegyptiaca distillate as a flavouring agent.
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Moghaddas Kia E, Ghaderzadeh S, Mojaddar Langroodi A, Ghasempour Z, and Ehsani A
- Abstract
Nowadays, the functionalization of food products using natural health-promoting additives is of great interest. Betalains are the natural pigments of red beets and are known for their health-promoting characteristics. The aim of this study was to evaluate gummy candies formulated with red beet extract (0.1 or 0.3%) as the coloring agent, Salix aegyptiaca distillate as the flavoring agent, and gellan gum (0.5 or 1.5%) as the gelling co-agent. The prepared gummy candy samples were assessed via texture profile analysis, DPPH assay, sensory evaluation, and color analysis. The results revealed that hardness (~ 60 N) improved and gumminess (~ 15 N) decreased with an increment in gellan gum content in the gummy candy formulation. Statistical analysis indicated that by addition of red beet extract, the radical scavenging capacity of the samples increased (50%) significantly ( p < 0.05). Furthermore, gellan gum usage lead to the generation of a glossy red color and enhanced the lightness of the samples in comparison with gelatin-based gummy candies. About sensory evaluation, the panelists confirmed that usage of Salix aegyptiaca improved the sensory characteristics of the gummy candy (overall acceptance from 7.4 to 8.2; out of 9). Our findings suggest that gellan gum (as a highly transparent, acid-resistant, gel-forming gum), red beet extract (as an acid-stabilized natural color), and Salix aegyptiaca distillate have immense potential in the food industry for use as structuring, coloring, and flavoring agents, respectively., (© Association of Food Scientists & Technologists (India) 2020.)
- Published
- 2020
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30. Stimulatory effects of nano-selenium and conjugated linoleic acid on antioxidant activity, trace minerals, and gene expression response of growing male Moghani lambs.
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Ghaderzadeh S, Mirzaei Aghjehgheshlagh F, Nikbin S, and Navidshad B
- Abstract
Sheep keepers need suitable strategies to improve animal immunity and the quality of their products. This study was aimed to evaluate the effect of nano-selenium (nano-Se) and conjugated linoleic acid (CLA) on an antioxidant statue, trace minerals, and mRNA expression of glutathione peroxidase 1 (GPX1) and selenoprotein W1 (SEPW1) genes in the liver and peroxisome proliferator-activated receptor-gamma (PPARγ) and stearoyl COA desaturase 1 (SCD1) genes in fat- tail of male Moghani lambs. Thirty male Moghani lambs, three months old and average weight 30.00 ± 0.25 kg, were assigned to a completely randomized design in a 2×3 factorial arrangement with dietary supplementation of nano-Se (0, 1.00 and 2.00 mg kg
-1 dry matter) and CLA (0.00 and 15.00 g kg-1 dry matter). The lambs were slaughtered at the end of the experiment, on day 90 of the experiment. Results showed that dietary inclusion of nano-Se significantly improved antioxidant enzymes glutathione peroxidase and superoxide dismutase in blood, however, did not show any differences in trace mineral treatments. The analysis of qPCR showed that nano-Se inclusion at the highest level (2.00 g kg-1 dry matter) enhanced gene expression of GPX1 (0.64 vs 0.34) and SEPW1 (0.72 vs 0.35) in the liver. Dietary inclusion of CLA increased the expression of PPARγ (0.63 vs 0.38) and decreased SCD1 (0.63 vs 0.33) genes in fat- tail. It could be concluded that selenium inclusion in the growing lamb's diet could improve antioxidant status, however, no synergistic interaction was observed along with CLA on the mentioned parameters., (© 2020 Urmia University. All rights reserved.)- Published
- 2020
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31. Freestanding and Supported MoS 2 Monolayers under Cluster Irradiation: Insights from Molecular Dynamics Simulations.
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Ghaderzadeh S, Ladygin V, Ghorbani-Asl M, Hlawacek G, Schleberger M, and Krasheninnikov AV
- Abstract
Two-dimensional (2D) materials with nanometer-size holes are promising systems for DNA sequencing, water purification, and molecule selection/separation. However, controllable creation of holes with uniform sizes and shapes is still a challenge, especially when the 2D material consists of several atomic layers as, e.g., MoS
2 , the archetypical transition metal dichalcogenide. We use analytical potential molecular dynamics simulations to study the response of 2D MoS2 to cluster irradiation. We model both freestanding and supported sheets and assess the amount of damage created in MoS2 by the impacts of noble gas clusters in a wide range of cluster energies and incident angles. We show that cluster irradiation can be used to produce uniform holes in 2D MoS2 with the diameter being dependent on cluster size and energy. Energetic clusters can also be used to displace sulfur atoms preferentially from either top or bottom layers of S atoms in MoS2 and also clean the surface of MoS2 sheets from adsorbents. Our results for MoS2 , which should be relevant to other 2D transition metal dichalcogenides, suggest new routes toward cluster beam engineering of devices based on 2D inorganic materials.- Published
- 2020
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32. Channeling effects in gold nanoclusters under He ion irradiation: insights from molecular dynamics simulations.
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Ghaderzadeh S, Ghorbani-Asl M, Kretschmer S, Hlawacek G, and Krasheninnikov AV
- Abstract
The interpretation of helium ion microscopy (HIM) images of crystalline metal clusters requires microscopic understanding of the effects of He ion irradiation on the system, including energy deposition and associated heating, as well as channeling patterns. While channeling in bulk metals has been studied at length, there is no quantitative data for small clusters. We carry out molecular dynamics simulations to investigate the behavior of gold nanoparticles with diameters of 5-15 nm under 30 keV He ion irradiation. We show that impacts of the ions can give rise to substantial heating of the clusters through deposition of energy into electronic degrees of freedom, but it does not affect channeling, as clusters cool down between consecutive impact of the ions under typical imaging conditions. At the same time, high temperatures and small cluster sizes should give rise to fast annealing of defects so that the system remains crystalline. Our results show that ion-channeling occurs not only in the principal low-index, but also in the intermediate directions. The strengths of different channels are specified, and their correlations with sputtering-yield and damage production is discussed, along with size-dependence of these properties. The effects of planar defects, such as stacking faults on channeling were also investigated. Finally, we discuss the implications of our results for the analysis of HIM images of metal clusters.
- Published
- 2020
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33. Supported Two-Dimensional Materials under Ion Irradiation: The Substrate Governs Defect Production.
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Kretschmer S, Maslov M, Ghaderzadeh S, Ghorbani-Asl M, Hlawacek G, and Krasheninnikov AV
- Abstract
Focused ion beams perfectly suit for patterning two-dimensional (2D) materials, but the optimization of irradiation parameters requires full microscopic understanding of defect production mechanisms. In contrast to freestanding 2D systems, the details of damage creation in supported 2D materials are not fully understood, whereas the majority of experiments have been carried out for 2D targets deposited on substrates. Here, we suggest a universal and computationally efficient scheme to model the irradiation of supported 2D materials, which combines analytical potential molecular dynamics with Monte Carlo simulations and makes it possible to independently assess the contributions to the damage from backscattered ions and atoms sputtered from the substrate. Using the scheme, we study the defect production in graphene and MoS
2 sheets, which are the two most important and wide-spread 2D materials, deposited on a SiO2 substrate. For helium and neon ions with a wide range of initial ion energies including those used in a commercial helium ion microscope (HIM), we demonstrate that depending on the ion energy and mass, the defect production in 2D systems can be dominated by backscattered ions and sputtered substrate atoms rather than by the direct ion impacts and that the amount of damage in 2D materials heavily depends on whether a substrate is present or not. We also study the factors which limit the spatial resolution of the patterning process. Our results, which agree well with the available experimental data, provide not only insights into defect production but also quantitative information, which can be used for the minimization of damage during imaging in HIM or optimization of the patterning process.- Published
- 2018
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