Investigating structural, electronic, magnetic, and optical properties of Co-doped and Co-X (X = Fe, Mn) co-doped MoS2 for optoelectronic applications

Khan, Mohammad Rashid; Liu, Juan; Latif, Abid; Majeed, Iqra; Ullah, Hamid; Asghar, Mazia; Ahmad, Javed

doi:10.1007/s00894-022-05312-7

Cited by 4 publications

(14 citation statements)

References 75 publications

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“…Doping is a process by which impurities are intentionally added to a material to modify its properties. In the case of TMDCs, it has been demonstrated that doping by substitution of metallic atoms or chalcogens allows for the modification of electronic and optical properties [19,20], control of conductivity and magnetization [21], improvement of catalytic properties [22], etc. The p-type (n-type) doping is the introduction of acceptor (donor) impurities.…”

Section: Introductionmentioning

confidence: 99%

Ab initio study of p- and n-type doping of two-dimensional MoO₂: investigation of a pn-homojunction

Ndang Amassa,

Etindele,

Douma

et al. 2024

J. Phys. Commun.

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Based on density functional theory, we studied the effect of p- and n-type doping on thestructural and electronic properties of MoO2 monolayers and bilayers. We used niobium (Nb)and nitrogen (N) as p-type dopants, and technetium (Tc) and fluorine (F) as n-type dopantsthrough atomic substitutions. Our study shows that the presence of a substituent in the 4 × 4supercell of MoO2 leads to a slight distortion and negligible modification of the lattice parameter.Both p- and n-type doped monolayers exhibit a metallic character. The bilayers obtainedby vertically stacking n-p doped monolayers all exhibit a metallic character, as their banddiagrams do not show a band gap. The study of their charge difference highlights a physisorptionphenomenon. This type of material, which features a nucleophilic site in the p-doped regionand an electrophilic site in the n-doped region, is a promising candidate for catalysis. Whenn-type and p-type doped monolayers are horizontally joined, the resulting stack exhibits a semi-conductor behavior.The special feature of this stacking is that we obtain a true pn junction,that is a space charge zone associated with a potential jump. For its application in infraredjunction diodes, we have demonstrated both quantitatively and qualitatively the existence of apotential jump at the junction.

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Section: Introductionmentioning

confidence: 99%

Ab initio study of p- and n-type doping of two-dimensional MoO₂: investigation of a pn-homojunction

Ndang Amassa,

Etindele,

Douma

et al. 2024

J. Phys. Commun.

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“…[30] However, ambient stability is a limiting factor for their integration into future technologies. One of the possible approaches to overcome this hurdle, is introducing small quantities of V, [31] Fe, [32] or Co [33,34] in transition metal dichalcogenide monolayers via substitution of the transition metal ions. Such type of diluted magnetic semiconductor mono-layers are air stable and exhibit ferromagnetic ordering at room temperature.…”

Section: Introductionmentioning

confidence: 99%

“…Such type of diluted magnetic semiconductor mono-layers are air stable and exhibit ferromagnetic ordering at room temperature. [31][32][33][34][35] In these systems, controlled dopant concentration and their dilution in the host 2D semiconductor matrix are the key factors. [36] In contrast to the above-mentioned synthetic 2D systems, there is a variety of vdW minerals [37][38][39][40][41] naturally occurring bulk layered crystals which offer a wide range of structural and compositional variations.…”

Section: Introductionmentioning

confidence: 99%

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Probing Magnetic Ordering in Air Stable Iron‐Rich Van der Waals Minerals

Khan

Peil

Sharma

et al. 2023

Advanced Physics Research

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Magnetic monolayers show great promise for future applications in nanoelectronics, data storage, and sensing. The research in magnetic two‐dimensional (2D) materials focuses on synthetic iodides and tellurides, which suffer from a lack of ambient stability. So far, naturally occurring layered magnetic materials have been overlooked. These minerals offer a unique opportunity to explore complex air‐stable layered systems with high concentration of magnetic ions. Magnetic ordering in iron‐rich phyllosilicates is demonstrated, focusing on minnesotaite, annite, and biotite. These naturally occurring layered materials integrate local moment baring ions of iron via magnesium/aluminum substitution in their octahedral sites. Self‐inherent capping by silicate/aluminate tetrahedral groups enables air stability of ultra‐thin layers. Their structure and iron oxidation states are determined via Raman and X‐ray spectroscopies. Superconducting quantum interference device magnetometry measurements are performed to examine the magnetic ordering. Paramagnetic or superparamagnetic characteristics at room temperature are observed. Below 40 K ferrimagnetic or antiferromagnetic ordering occurs. In‐field magnetic force microscopy on exfoliated flakes confirms that the paramagnetic response at room temperature persists down to monolayers. Further, a correlation between the mixture of the oxidation states of iron and the critical ordering temperature is established, indicating a path to design materials with higher critical temperatures via oxidation state engineering.

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“…It deals with the study of materials and devices which are controlled by a light source. Presence of quantum mechanical effects in semiconductor or electronic materials has extended applications of optoelectronic devices [15]. Research on optoelectronic materials has brought us to brink of another technological era where miniaturization of devices has revolutionized device performance and multifunctionality.…”

Section: Introductionmentioning

confidence: 99%

Exploring structural, electronic, magnetic, and optical properties of CeO₂-X (X = Pt/Ni) doped and Pt-Ni co-doped CeO₂ for optoelectronic applications

et al. 2023

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Employing DFT technique, we perform Pt/Ni doping and Pt-Ni co-doping into CeO2. We study the structural, electronic, magnetic, and optical properties of CeO2 with selected dopants using Wien2k code. Spin-polarized DOS illustrate non-magnetic character of pure CeO2 while Pt/Ni/Pt-Ni doping yields magnetism into CeO2 with magnetic moment values of 2.2502 μ_B, 2.5683 μ_B, and 3.9190 μ_B, respectively. Active participation of Ce 4f-, Pt 4d- and Ni 3d-states at the Fermi level suggests remarkable improvement in the conduction process. p-d hybridization is observed and it produces good response in electronic properties. Pt@CeO2 and Pt-Ni@CeO2 exhibit blueshift while Ni@CeO2 exhibit redshift in absorption spectrum. We notice an enhancement in optical absorption and conductivity with decreased reflectivity of these proposed materials in the UV region. Tuning of absorption spectra and decrease in band gap of these materials indicate their uses for photocatalytic, photonic, optoelectronics and power electronic devices. 

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Investigating structural, electronic, magnetic, and optical properties of Co-doped and Co-X (X = Fe, Mn) co-doped MoS2 for optoelectronic applications

Cited by 4 publications

References 75 publications

Ab initio study of p- and n-type doping of two-dimensional MoO₂: investigation of a pn-homojunction

Ab initio study of p- and n-type doping of two-dimensional MoO₂: investigation of a pn-homojunction

Probing Magnetic Ordering in Air Stable Iron‐Rich Van der Waals Minerals

Exploring structural, electronic, magnetic, and optical properties of CeO₂-X (X = Pt/Ni) doped and Pt-Ni co-doped CeO₂ for optoelectronic applications

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Investigating structural, electronic, magnetic, and optical properties of Co-doped and Co-X (X = Fe, Mn) co-doped MoS2 for optoelectronic applications

Cited by 4 publications

References 75 publications

Ab initio study of p- and n-type doping of two-dimensional MoO2: investigation of a pn-homojunction

Ab initio study of p- and n-type doping of two-dimensional MoO2: investigation of a pn-homojunction

Probing Magnetic Ordering in Air Stable Iron‐Rich Van der Waals Minerals

Exploring structural, electronic, magnetic, and optical properties of CeO2-X (X = Pt/Ni) doped and Pt-Ni co-doped CeO2 for optoelectronic applications

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Ab initio study of p- and n-type doping of two-dimensional MoO₂: investigation of a pn-homojunction

Ab initio study of p- and n-type doping of two-dimensional MoO₂: investigation of a pn-homojunction

Exploring structural, electronic, magnetic, and optical properties of CeO₂-X (X = Pt/Ni) doped and Pt-Ni co-doped CeO₂ for optoelectronic applications