Stabilizing graphene-based organometallic sandwich structures through defect engineering

Dev, Pratibha; Reinecke, T. L.

doi:10.1103/physrevb.91.035436

Cited by 7 publications

(5 citation statements)

References 47 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This tendency causes a significant degradation of hydrogen storage capacity. Many researchers developed methods for better dispersion of doping atoms on graphene such as creation of inplane defects in the graphene [12]. But, the process is complex and difficult to control the dispersity and density of the defects.…”

Section: Introductionmentioning

confidence: 99%

Ti-decorated graphitic-C3N4 monolayer: A promising material for hydrogen storage

Zhang

et al. 2016

Applied Surface Science

View full text Add to dashboard Cite

Section: Introductionmentioning

confidence: 99%

Ti-decorated graphitic-C3N4 monolayer: A promising material for hydrogen storage

Zhang

et al. 2016

Applied Surface Science

View full text Add to dashboard Cite

“…The defect (either substitutional nitrogen or vacancy) was introduced in a 12 × 12 × 1 supercell (288-atoms) of graphene and the atomic positions were relaxed with the relaxation threshold set to be better than 10 –4 Ry/au. Monkhorst–Pack scheme was used to generate k-point set from a 7 × 7 × 1 k-grid, which has been found to be sufficiently accurate in our earlier work . Our constant-height (3 Å) STM images were simulated using the Tersoff–Hamann approach .…”

Section: Experimental Methodsmentioning

confidence: 99%

“…Monkhorst−Pack scheme 51 was used to generate k-point set from a 7 × 7 × 1 k-grid, which has been found to be sufficiently accurate in our earlier work. 52 Our constant-height (3 Å) STM images were simulated using the Tersoff−Hamann approach. 53 Within this model, the tunneling current is approximated by integrating the spatially resolved (local) density of states (LDOS) from the Fermi energy up to the bias voltage to map the filled or empty states depending on whether we apply a negative or positive sample bias in our calculations.…”

Section: Experimental Methodsmentioning

confidence: 99%

Nitrogen-Doped Graphene and Twisted Bilayer Graphene via Hyperthermal Ion Implantation with Depth Control

et al. 2016

Self Cite

View full text Add to dashboard Cite

We investigate hyperthermal ion implantation (HyTII) as a means for substitutionally doping layered materials such as graphene. In particular, this systematic study characterizes the efficacy of substitutional N-doping of graphene using HyTII over an N(+) energy range of 25-100 eV. Scanning tunneling microscopy results establish the incorporation of N substituents into the graphene lattice during HyTII processing. We illustrate the differences in evolution of the characteristic Raman peaks following incremental doses of N(+). We use the ratios of the integrated D and D' peaks, I(D)/I(D') to assess the N(+) energy-dependent doping efficacy, which shows a strong correlation with previously reported molecular dynamics (MD) simulation results and a peak doping efficiency regime ranging between approximately 30 and 50 eV. We also demonstrate the inherent monolayer depth control of the HyTII process, thereby establishing a unique advantage over other less-specific methods for doping. We achieve this by implementing twisted bilayer graphene (TBG), with one layer of isotopically enriched (13)C and one layer of natural (12)C graphene, and modify only the top layer of the TBG sample. By assessing the effects of N-HyTII processing, we uncover dose-dependent shifts in the transfer characteristics consistent with electron doping and we find dose-dependent electronic localization that manifests in low-temperature magnetotransport measurements.

show abstract

“…These 2D magnets can be: (i) intrinsic in nature, such as CrI 3 , or (ii) extrinsic in nature. In the latter category, we include all 2D materials, otherwise nonmagnetic, in which magnetism can be induced through: (i) defect engineering (vacancies, substitutionals, creating edges/nanoribbons) [8][9][10][11] , (ii) intercalation between layers by magnetic species [12][13][14][15][16] , or (iii) proximity effects (2D crystal placed on a magnetic substrate) 17,18 . With only a few known intrinsic 2D magnets, there is a strong motivation to use the aforementioned strategies to induce collective magnetism in non-magnetic 2D crystals.…”

Section: Introductionmentioning

confidence: 99%

Defect-induced 4p -magnetism in layered platinum diselenide

2021

Self Cite

View full text Add to dashboard Cite

Platinum diselenide (PtSe2) is a recently-discovered extrinsic magnet, with its magnetism attributed to the presence of Pt-vacancies. The host material to these defects itself displays interesting structural and electronic properties, some of which stem from an unusually strong interaction between its layers. To date, it is not clear how the unique intrinsic properties of PtSe2 will affect its induced magnetism. In this theoretical work, we show that the defect-induced magnetism in PtSe2 thin films is highly sensitive to: (i) the layer-thickness (ii) defect density, and (iii) substrate choice. These different factors dramatically modify all magnetic properties, including the magnitude of local moments, strength of the coupling, and even nature of the coupling between the moments. We further show that the strong inter-layer interactions are key to understanding these effects. A better understanding of the various influences on magnetism, can enable controllable tuning of the magnetic properties in Pt-based dichalcogenides, which can be used to design novel devices for magnetoelectric and magneto-optic applications.

show abstract

Stabilizing graphene-based organometallic sandwich structures through defect engineering

Cited by 7 publications

References 47 publications

Ti-decorated graphitic-C3N4 monolayer: A promising material for hydrogen storage

Ti-decorated graphitic-C3N4 monolayer: A promising material for hydrogen storage

Nitrogen-Doped Graphene and Twisted Bilayer Graphene via Hyperthermal Ion Implantation with Depth Control

Defect-induced 4p -magnetism in layered platinum diselenide

Contact Info

Product

Resources

About