Hydrogen storage on flat land materials, opportunities, and challenges: A review study

Fatima, Kaneez; Soomro, Amir Mahmood; Rafique, Muhammad; Kumar, Mahesh

doi:10.1002/jccs.202200039

Cited by 17 publications

(5 citation statements)

References 112 publications

(156 reference statements)

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“…As a promising candidate for future nano/optoelectronic components, silicene has attracted tremendous attention during the last decades, because of its compatibility with the present semiconductor industry [4,5]. Silicene as a buckled 2D material, fabricated from silicon atoms, which exhibits many excellent properties like quantum Hall effect, halfmetallicity, ferromagnetism, giant magnetoresistance, superconductivity [6], and applications such as molecule sensing, hydrogen purification, hydrogen storage, and solar cells [7][8][9][10][11][12][13]. Because of its semi-metallic feature, this material cannot fulfill all the expectations for optoelectronic devices.…”

Section: Introductionmentioning

confidence: 99%

Non-equilibrium Green’s function approach for simulation asymmetric source-drain silicene-based photodetectors

Alaee,

Sadeghzadeh,

Ostovari

2023

Phys. Scr.

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Employing tight-binding approximation coupling to Non-Equilibrium Green’s Function (NEGF) approach, we have simulated three photodetectors based on 20 nm Armchair-Silicene-Nanoribbons (ASiNR) with asymmetric source (Ir-doped silicene) and drain (Cu-, Ag-, or Au-doped silicene) contacts. In this study, monochromatic illumination in the range of 0.1-10 eV with the intensity of 1kW cm-2 is used for the simulation of the photocurrent, photoresponsivity, quantum efficiency, and detectivity. It is shown that the highest peak in the photocurrent spectrum occurs at the 273 nm incident wavelength for all devices under consideration, where the Ir-Cu device has presented enhanced photodetector characteristics than Ir-Ag and Ir-Au devices. It is also found that only transitions between two subbands with the same index are allowed. Moreover, the first peak in the photocurrent spectrum is related to the main band gap of ASiNR. Additionally, the simulated dark and total currents versus source-drain voltage reveal that photocurrent caused a negative shift in the total current proportional to incident light intensity. The proposed photodetector has the advantage that it is fully compatible with established silicon technology.

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Section: Introductionmentioning

confidence: 99%

Non-equilibrium Green’s function approach for simulation asymmetric source-drain silicene-based photodetectors

Alaee,

Sadeghzadeh,

Ostovari

2023

Phys. Scr.

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“…[4] 2D silicon was first reported back in 1994 by first-principles calculations and was successfully synthesized on Ag (111), Ir (111), and ZrB 2 [5] in 2012. It has a non-planner structure with corrugation of 0.45 Å as Si atoms prefer to adopt sp 2 -sp 3 hybridization rather than sp 2 only as in graphene. Spin orbit coupling (SOC) seems to be mightier in the silicene than graphene which enables its valleytronic and quantum spin Hall effect properties.…”

Section: Introductionmentioning

confidence: 99%

“…[ 2 ] Inspired by tailored applications of graphene, the researchers have delved into other two‐dimensional (2D) materials. [ 3 ] Recently, other cousins of graphene, for example, silicene, germanene, stanene, and plumbene have been fabricated. [ 4 ] 2D silicon was first reported back in 1994 by first‐principles calculations and was successfully synthesized on Ag (111), Ir (111), and ZrB 2 [ 5 ] in 2012.…”

Section: Introductionmentioning

confidence: 99%

Geometric, spintronic, and opto‐electronic properties of 3d transition metals doped silicene: An ab initio study

Kalwar

Fangzong

Saeed

et al. 2022

J Chinese Chemical Soc

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This study shows density functional theory (DFT) investigations that 3d transition metals (TM) doping in silicene can greatly alter the geometric, spintronic, and optoelectronic properties of the pristine silicene (p‐Si) layer. Significant Bader charge transfer from 3d TM atoms to surrounding Si atoms ensures the tight bonding between dopant and substrate; hence, all the 3d transition metal‐doped silicene (3d TM‐Si) systems are said geometrically strong and stable. Sc‐ and Ti‐doped systems show the lowest formation energies of −84.72 and −84.21 eV, respectively, while Zn‐Si bears the highest (−70.89 eV). 3d TMs from V to Co doping induces magnetic moment (MM) in the silicene layer which mainly comes from d‐orbitals of 3d TM atoms and partly from p‐orbitals of Si atoms, meanwhile Mn‐Si has MM as high as 3.0 μB. Among 3d TM‐Si systems studied, Cr‐Si and Mn‐Si systems became half metals, Ti‐Si became indirect semiconductor, whereas rest others convert into metals. Sc and V doping is found to be p‐type doping as the Fermi level shifts into the valence band. Moreover, multiple and broader peaks in the absorption coefficient plot indicate the significant photoabsorption of 3d TM‐Si systems. The present study of electronic, magnetic, and optical properties of 3d TM‐Si systems extend a helpful proposal for further experimental work to fabricate silicene‐based single‐spin electron source and other nano‐electronic devices.

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“…[8] In the field of nano-electronic, h-BN carries high attention of researcher due to their technological application in hydrogen storage, UV-emitters, and wide band gap semiconductors devices. [9][10][11] In addition to the h-BN, another 2D material, such as silicon carbide (SiC) has direct band gap and has a potential to bring extra-ordinary evolution in electronic and optoelectronic devices. [12] 2D monolayer SiC is the honeycomb structure consisting of Si and C atoms forming the bond through sp 2 hybrid orbital.…”

Section: Introductionmentioning

confidence: 99%

“…[ 8 ] In the field of nano‐electronic, h ‐BN carries high attention of researcher due to their technological application in hydrogen storage, UV‐emitters, and wide band gap semiconductors devices. [ 9–11 ]…”

Section: Introductionmentioning

confidence: 99%

Activation of h‐BN and SiC monolayer sheets through foreign atom substitution; a comparative study based on ab‐initio method

Fatima

Rafique

Soomro

et al. 2022

J Chinese Chemical Soc

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Here, we studied two different 2D monolayer systems (i.e., h-BN and SiC), which exhibit unique electronic and magnetic properties. We analyzed the effects of Transition Methods (TM) doped atoms (i.e., Mn, Ni, and Sc) on the single vacancy (SV) h-BN and SiC systems using first principles calculations. Through comparison we found that Mn substitution in SV h-BN and SiC can modify their electronic and magnetic properties having larger magnetic moment as compared to other dopants (i.e., Ni and Sc.). Band structure and PDOS plots confirmed that TM doping in SV h-BN can convert the pure h-BN (insulator) to semiconductor, metal, or semi-metal, it is also observed from the results that Mn-doped h-BN has higher band gap approximately equal to Eg $ 2.7 eV during the negative spin and has smaller band gap, that is, (Eg $ 1.1 eV) during the positive spin. Similarly doping with the TM atoms on the SV SiC monolayer system can convert pure SiC to metal or half metal. In addition, Mn-doped SiC showed semimetal property having 0 eV band gap. These finding will help us to vary the electronic and magnetic properties of the pure h-BN and SiC sheets which can be used for the optoelectronic and spintronic applications.

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Hydrogen storage on flat land materials, opportunities, and challenges: A review study

Cited by 17 publications

References 112 publications

Non-equilibrium Green’s function approach for simulation asymmetric source-drain silicene-based photodetectors

Non-equilibrium Green’s function approach for simulation asymmetric source-drain silicene-based photodetectors

Geometric, spintronic, and opto‐electronic properties of 3d transition metals doped silicene: An ab initio study

Activation of h‐BN and SiC monolayer sheets through foreign atom substitution; a comparative study based on ab‐initio method

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