Enhancing the electronic and optical properties of the metal/semiconductor NbS2/BSe nanoheterostructure towards advanced electronics.

Metal-semiconductor (M-S) contacts play a vital role in advanced applications, serving as crucial components in ultracompact devices and exerting a significant impact on overall device performance. Here, in this work, we design a M-S nanoheterostructure between a metallic NbS2 monolayer and a semiconducting BSe monolayer using first-principles prediction. The stability of such an M-S nanoheterostructure is verified and its electronic and optical properties are also considered. Our results indicate that the NbS2/BSe nanoheterostructure is structurally, mechanically and thermally stable. The formation of the NbS2/BSe heterostructure leads to the generation of a Schottky contact with the Schottky barrier ranging from 0.36 to 0.51 eV, depending on the stacking configurations. In addition, the optical absorption coefficient of the NbS2/BSe heterostructure can reach up to 5 × 105 cm-1 at a photon energy of about 5 eV, which is still greater than that in the constituent NbS2 and BSe monolayers. This finding suggests that the formation of the M-S NbS2/BSe heterostructure gives rise to an enhancement in the optical absorption of both NbS2 and BSe monolayers. Notably, the tunneling probability and the contact tunneling-specific resistivity at the interface of the NbS2/BSe heterostructure are low, indicating its applicability in emerging nanoelectronic devices, such as Schottky diodes and field-effect transistors. Our findings offer valuable insights for the practical utilization of electronic devices based on the NbS2/BSe heterostructure.

New insights on the optical properties and upconversion fluorescence of Er-doped CoAl2O4 nanocrystals.

In this study, Er-doped CoAl2O4 nanocrystals (NCs) were synthesized via co-precipitation. All the NCs were crystallized in the form of a single phase with a spinel structure and Er3+ ions replaced Al3+ ions in the formation of the CoAl2-xErxO4 alloy structure. The optical characteristics of the Er3+ ion-doped CoAl2O4 NCs were thoroughly investigated by analyzing both the UV-VIS and photoluminescence spectra, using the Judd-Ofelt theory. The effect of Er doping content on the luminescent properties of the CoAl2O4 pigment (using lasers emitting at wavelengths of 413 and 978 nm) has been studied. The values of Judd-Oflet intensity parameters (Ω2, Ω4, and Ω6) were determined from the absorption spectra using the least square fitting method. The J-O parameters were calculated and compared with those of other host materials; the values of the Ω2, Ω4, and Ω6 parameters decreased with an increase in Er concentration. This suggests that the rigidity and local symmetry of the host materials become weaker as the concentration of Er3+ ions increases. The highest value of the Ω2 parameter, when compared with Ω4 and Ω6, suggests that the vibrational frequencies in the given samples are relatively low. The upconversion fluorescence phenomenon was observed and explained in detail under an excitation wavelength of 978 nm when the excitation power was varied.

Controlling the optical and magnetic properties of CdTeSe and Gd-doped CdTeSe alloy semiconductor nanocrystals.

In this study, CdTexSe1-x (0 ≤ x ≤ 1) and CdTeSe:Gd y% (y = 0-8.05) alloy semiconductor nanocrystals (NCs) were prepared by wet chemical method. The presence and composition of the elements in the sample were determined by energy dispersive X-ray (EDX) spectroscopy and X-ray photoelectron spectroscopy (XPS). Structural analysis of X-ray diffraction (XRD) patterns indicated that most NCs crystallized in the zinc blende (ZB) structure however some Gd-doped NCs (y = 4.52 and 8.05%) crystallized in the wurtzite (WZ) structure. The emission peak of CdTexSe1-x (0 ≤ x ≤ 1) NCs varied over a wide range when changing x while the particle size remained almost unchanged. The effect of Gd doping on the structure and optical and magnetic properties of CdTeSe NCs was studied in detail. When the Gd concentration increases from 0-8.05%: (i) the structure of CdTeSe NCs gradually changed from ZB to WZ, (ii) the emission efficiency of the material was significantly reduced, (iii) the PL lifetime of samples increased more than 10 times, and (iv) the ferromagnetic properties of the material were enhanced. The research findings demonstrated that it is possible to control the crystal structure, optical characteristics, and magnetic properties of Gd-doped CdTeSe nanocrystals by adjusting the dopant concentration and chemical composition of the host material.

New insights on the luminescence properties and Judd-Ofelt analysis of Er-doped ZnO semiconductor quantum dots.

In this study, Er3+ doped ZnO semiconductor quantum dots (QDs) were synthesized using a wet chemical method. The successful doping of Er3+ ions into the ZnO host lattice and the elemental composition was confirmed by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The ZnO and Er3+ doped ZnO QDs with a hexagonal structure, spherical shape, and particle size of approximately 5 nm were revealed by XRD and transmission electron microscopy (TEM). The absorption, luminescence properties, and fluorescence lifetimes of the samples were studied as the concentration of Er3+ ions varied. The intensity parameters, emission transition probabilities, branching ratios, and emission lifetimes of the excited levels of Er3+ ions in the ZnO host were determined using the Judd-Ofelt theory, which provided insight into the covalent relationship between the ions and ligands as well as the nature of the ZnO host lattice. Moreover, the energy transfer process from the ZnO host to Er3+ ions and the yield of this process are explained in detail along with specific calculations. The Er3+ doped ZnO QDs displayed a significantly longer lifetime than undoped ZnO, which opens up many potential applications in fields such as photocatalysis, optoelectronics, photovoltaics, and biosensing.

Optical properties and energy transfer processes in Tb3+-doped ZnSe quantum dots.

Tb3+-Doped ZnSe quantum dots (QDs) with a Tb content in the range of 0.5-7% were successfully synthesized by a wet chemical method. X-Ray diffraction (XRD) and transmission electron microscopy (TEM) analyses revealed that the as-synthesized QDs had a zinc blende (ZB) structure with a particle size of approximately 4 nm. The effect of Tb-doping on the structure and optical properties of the ZnSe QDs was studied. The emission spectra and photoluminescence (PL) decay kinetics data confirmed the successful incorporation of Tb3+ ions into the ZnSe host. The PL spectra also revealed that the intensity of dopant emission was significantly enhanced owing to the energy transfer (ET) from the host emission. The efficiency of the ET process from the ZnSe host to Tb3+ ions and between Tb3+ ions and the nature of these interaction mechanisms were determined by applying the Inokuti-Hirayama and Reisfeld models. The features of the ligand field and the optical properties of Tb3+ ions in the ZnSe QDs were studied using Judd-Ofelt theory. The dependence of the chromaticity features of ZnSe:Tb3+ QDs on the Tb concentration was estimated by the chromaticity coordinates and correlated color temperature (CCT). The Tb3+-doped ZnSe QDs with visible, tunable, and very long lifetime emission have potential for practical applications such as biological labeling, photocatalysis, and white-LED devices.

Effect of dopant concentration and the role of ZnS shell on optical properties of Sm3+ doped CdS quantum dots.

The role of samarium (Sm) dopant on the structural, morphological, and optical properties of CdS QDs and CdS/ZnS core/shell QDs was methodically reported. The synthesis of Sm-doped CdS QDs and CdS/ZnS QDs was carried out via a facile wet chemical method. The structure, chemical composition, and optical properties of the synthesized QDs were investigated by using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy (RS), and photoluminescence (PL) spectroscopy. XRD analysis showed that the synthesized CdS QDs exhibited zinc blende structure which was not affected by doping Sm3+ ions. The particle size of the CdS:Sm and CdS:Sm (2%)/ZnS QDs was estimated to be ∼4 nm and ∼7 nm, respectively. Transmission electron microscopy (TEM) images revealed that the incorporation of Sm dopant did not significantly affect the size and morphology of CdS QDs, while the formation of the ZnS shell increased the particle size. XPS and XRD results confirmed the successful incorporation of Sm3+ ions into the CdS QDs. The effect of dopant concentration on the structural and luminescent properties was studied. The emission and excitation spectra of Sm3+-doped CdS QDs and CdS/ZnS QDs consisted of the characteristic lines corresponding to the intra-configurational f-f transitions. The energy transfer (ET) mechanism from the host to Sm3+ ions and the ET process through cross-relaxation between Sm3+ ions have been elucidated. The effect of the ZnS shell on the optical stability of the Sm3+-doped CdS QDs was studied in detail and the results showed that the CdS:Sm (2%)/ZnS QDs retained their good emission characteristics after 376 days of fabrication. The luminescent properties of Sm-doped QDs ranging from violet to red and PL lifetime extending to milliseconds demonstrated that these QDs are the potential materials for applications in white LEDs, biomarkers, and photocatalysis.

New insights on the energy transfer mechanisms of Eu-doped CdS quantum dots.

Eu-doped CdS quantum dots (QDs) with the Eu dopant concentration in the range of 0.5-10% and zinc blende (ZB) structure were successfully synthesized by a wet chemical method. The fabricated Eu-doped CdS QDs exhibited emissions in the visible window approximately at 465, 590, 618 and 696 nm, which correspond to the excitonic emission of CdS QDs and the electronic transitions of the intra 4f6 configuration from the 5D0 level to 7F1, 7F2 and 7F4 levels of Eu3+ dopant ions, respectively. Judd-Ofelt theory was used to estimate the properties of ligand field and luminescence quantum efficiency of the material. The interaction mechanism and the efficiency of the energy transfer process from CdS QDs to Eu3+ ions were found by using Reisfeld's approximation formulas. The luminescence quenching of Eu3+-doped CdS QDs was studied through analysis of emission spectra and decay curves. The dominant interaction mechanism between Eu3+ ions and energy transfer parameters have been found by fitting the decay curves to the Inokuti-Hirayama model. The cross-relaxation channels leading to the luminescence quenching of Eu3+ have also been predicted.

The sensitive detection of methylene blue using silver nanodecahedra prepared through a photochemical route.

In this work, we have carried out systematic studies on the critical role of polyvinyl pyrrolidone (PVP) and citrate in the well-known chemical reduction route to synthesize silver nanodecahedra (AgND). Silver nitrate (AgNO3) was used as silver source, which can be directly converted to metallic silver after being reduced by sodium borohydride (NaBH4) under blue light-emitting diode (LED) irradiation (λ max = 465 nm), and polyvinyl pyrrolidone (PVP) as a capping agent to assist the growth of AgND. The obtained products were silver nanodecahedra of excellent uniformity and stability with high efficiency and yield. The results showed that PVP acted as a capping agent to stabilize the silver nanoparticles, prolonging the initiation time required for nanodecahedra nucleation, thus inducing anisotropic growth, allowing the size and morphology of the AgND to be controlled successfully. This improved understanding allows a consistent process for the synthesis of AgND with significantly enhanced reproducibility to be developed and the formation mechanism of these nanostructures to be elucidated. This is a simple, cost-effective and easily reproducible method for creating AgND. The typical absorption maxima in the UV-vis spectroscopy of Ag seeds was λ max ∼400 nm and that of AgND was λ max ∼480 nm. The size of the prepared AgND was in the range of 60-80 nm. SEM images confirmed the uniform and high density of AgND when the concentration of PVP was 0.5 mM. The XRD pattern showed that the final product of AgND was highly crystallized. In addition, the prepared AgND can be used to detect methylene blue (MB) in a sensitive manner with good reproducibility and stability using Surface-Enhanced Raman Scattering (SERS) phenomenon. Out of the obtained products, the AgND prepared with 50 min blue LED light irradiation (AgND-50) displayed the strongest SERS signal. Interestingly, MB in diluted solution can be detected with a concentration as low as 10-7 M (the limit of detection, LOD) and the linear dependence between SERS intensity and the MB concentration occurred in the range from 10-7 to 10-6 M. The enhancement factor (EF) of the SERS effect was about 1.602 × 106 with a MB concentration of 10-7 M using 532 nm laser excitation.

Influence of precursor ratio and dopant concentration on the structure and optical properties of Cu-doped ZnCdSe-alloyed quantum dots.

Tunable copper doped Zn1-x Cd x S alloy quantum dots (QDs) were successfully synthesized by the wet chemical method. A one-step method is developed to synthesize doped ternary QDs which is more preferable than a two-step method. The influence of experimental parameters like the Zn/Cd ratio and Cu dopant concentration has been investigated using various spectroscopic techniques like UV-visible, photoluminescence, X-ray diffraction and Raman spectroscopy. The absorption and emission properties can be tuned by changing the concentration of components of the ternary QDs. The high concentration of dopant completely quenched the emission of the ternary QDs. EDX gives confirmation of the elemental composition of the synthesized samples. The obtained results suggest the successful doping of the ternary QDs. Interestingly, the study results revealed that the crystal structure (ZB and/or WZ) and the dual emission of the Cu-doped Zn1-x Cd x Se alloy QDs could be controlled by varying the dopant concentration and chemical composition of the host. Doping also leads to enhancement in emission properties and provides more stability to ternary QDs. The enhancement in the photoluminescence (PL) decay lifetime of Cu-doped ternary QDs can be advantageous for optoelectronic and biosensor applications.