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Due to the water-insoluble nature of Hg0, its oxidization to Hg2+, which is water-soluble, is a viable approach for its effective removal at coal-fired plants using existing flue gas desulfurization (FGD) unit. In this study, the adsorption and oxidation of elemental mercury on an Mn-doped g-C3N4 material were investigated. The spin-polarized density functional theory method was adapted to optimize the geometry structures and then to determine the corresponding electronic structures, while the CI-NEB method was adopted to search for the stable intermediates during the reaction(s). The analysis of energy and project density of states shows that the Mn-g-C3N4 exhibits an excellent affinity to Hg atoms. It is found that it is feasible for Hg atoms to oxidize on the Mn-g-C3N4 surface via two possible E-R paths, but with relatively high energy barriers. This research provides insights into a viable way for mercury removal using O2 as the oxidizing agent.

Critical bone defects caused by extensive excision of malignant bone tumor and the probability of tumor recurrence due to residual tumor cells make malignant bone tumor treatment a major clinical challenge. The present therapeutic strategy concentrates on implanting bone substitutes for defect filling but suffers from failures in both enhancing bone regeneration and inhibiting the growth of tumor cells. Herein, Cu and Mn-doped borosilicate nanoparticles (BSNs) were developed for syncretic bone repairing and anti-tumor treatment, which can enhance bone regeneration through the osteogenic effects of Cu2+ and Mn3+ ions and meanwhile induce tumor cells apoptosis through the hydroxyl radicals produced by the Fenton-like reactions of Cu2+ and Mn3+ ions. In vitro study showed that both osteogenic differentiation of BMSCs and angiogenesis of endothelial cells were promoted by BSNs, and consistently the critical bone defects of rats were efficiently repaired by BSNs through in vivo evaluation. Meanwhile, BSNs could generate hydroxyl radicals through Fenton-like reactions in the simulated tumor microenvironment, promote the generation of intracellular reactive oxygen species, and eventually induce tumor cell apoptosis. Besides, subcutaneous tumors of mice were effectively inhibited by BSNs without causing toxic side effects to normal tissues and organs. Altogether, Cu and Mn-doped BSNs developed in this work performed dual functions of enhancing osteogenesis and angiogenesis for bone regeneration, and inhibiting tumor growth for chemodynamic therapy, thus holding a great potential for syncretic bone repairing and anti-tumor therapy., Graphical abstract Image 1, Highlights • Dual-functional bioactive borosilicate nanoparticles were successfully synthesized. • Incorporation of Cu and Mn to the nanoparticles enhanced osteogenesis and angiogenesis. • Cu and Mn doped borosilicate nanoparticles inhibited tumor by producing ·OH. • Potential syncretic bone repair and chemodynamic therapy developed for bone tumor treatment.

Thin-film of Mn-doped iron disulfide (FeS2) has been prepared using the thermal evaporation method. This work reports the Hall measurements, temperature and light intensity-dependent photoconductivity, electrical transport mechanism, and photodetection properties of Mn-doped FeS2 thin film. The transient photoconductivity measurements of p-type Mn-doped FeS2 thin film show a consistent dependence upon temperature and light intensity. Charge transport mechanism was illustrated using different models. In region-I (303–393 ​K) deposited film followed the thermally activated transport mechanism. Nearest neighbour hopping (NNH) transport mechanism was followed by region-II (274–293 ​K), and Mott's variable range hopping (VRH) mechanism was dominant in region-III (108–273 ​K). The fabricated device resulted in higher photoconductivity due to collecting charge carriers through electrodes under light illumination. The results also revealed that Mn-doped thin film possessed good photoresponsivity (∼19 ​mA/W) as well as photo-detectivity (∼3.4 ​× ​1012 Jones) due to the occupation of localized states formed by Mn-doping. Light intensity-dependent photodetection properties suggested the potential for real-time photodetection applications.

Undoped and Mn-doped ZnS nanocrystals encapsulated with thioglycolic acid were synthetized and characterized with different techniques, and finally tested in the photodegradation of a methyl orange in aqueous solution under UV and sunlight irradiations. FTIR and X-ray diffraction results confirmed the functionalization of these nanocrystals surface by thioglycolic acid and the formation of crystalline structures of ZnS and Mn-doped ZnS with cubic and hexagonal phases. Calculated average size of ZnS nanocrystals was in the range of 2 - 3 nm. It was observed a blue shift of the absorbance threshold and the estimated bandgap energies were higher than that of Bulk ZnS thus confirming the quantum confinement effect of charge carriers. Photoluminescence spectra of ZnS nanocrystals exhibited emission in the range of 410- 490 nm and the appearance of an additional emission band around 580 nm (2.13eV) connected to the 4𝑇1→ 6𝐴1 transition of the Mn2+ions. Photodegradation of methylene orange with undoped and Mn-doped ZnS-TGA nanocrystals was investigated. Dye adsorption prior to photocatalysis using nanocrystals was studied via kinetic experiments and statistical physics models. The maximum dye adsorption capacity on doped ZnS-TGA was ~ 26.98 mg/g. The adsorption kinetic was found to follow the pseudo-second-order kinetic model.According to the statistical physics results, the calculated adsorption energy was 22.47-23.47 kJ/mol and it showed that the dye adsorption was associated to the hydrogen interaction where the removal process was feasible and multi-molecular. The photocatalytic activity of undoped ZnS nanoparticles under UV irradiation showed better efficiency than doped nanocrystals thus indicating that manganese doping generated a dropping of the photocatalytic degradation of the dye. Dye degradation efficiency of 81.37% using ZnS-TGA nanocrystals was achieved after 6 min, which indicated that ZnMnS-TGA nanocrystals may be considered as an alternative low cost and environmental friendly material for facing water pollution caused by organic compounds via photodegradation processes.

Construction is the part of human activity which is directly linked to urbanization for moving ahead on the path of growth and prosperity. Construction activities in past centuries are now part of our precious heritage. The repair and maintenance of heritage structures are of great importance for present-day researchers. One of the most common damage these century-long constructions faces are in form of surface cracks. In the present study, investigations were performed for a 3D printing-based customized solution for crack repair and maintenance of heritage structures. In this study, polyvinylidene fluoride (PVDF) polymer was reinforced with graphene (Gr) and Mn-doped ZnO nano-particles to prepare a smart composite material for crack repair and restoration. The composite was successfully 3D printed on fused deposition modeling (FDM) based 3D printer after investigating its rheological, thermal, and mechanical properties. The in-house developed composite was tested for smart characteristics to use as a programmable solution for filling cracks. The piezoelectric property and dielectric constant of 3D printed disk-shaped composite (PVDF-Gr-Mn-ZnO) were obtained after DC poling (to be used as stimulus) of the functional prototype. The results of the study suggest that the electro-active nature, volumetric change, and charge storing capacity of the additively manufactured composite may be used practically to acquire the shape of cavity/crack present in the constructed wall and repair the damages that occurred in a heritage site. The photoluminescence (PLS) and atomic force microscopy (AFM) analysis was used to ascertain the properties of the prepared composite. Also, the results obtained from the morphological analysis are reported to support the outcomes of the research.

Time-resolved photoluminescence and transient absorption spectroscopy are used to examine the influence that long excited state lifetimes of Mn-doped nanocrystals have on the mechanisms of photoind...

International audience; Doping of transition metals within a semiconductor quantum dot (QD) has a high impact on the optical and magnetic properties of the QD. In this study, we report the synthesis of Mn 2+-doped Ag−In−Ga−Zn−S (Mn:AIGZS) QDs via thermolysis of a dithiocarbamate complex of Ag + , In 3+ , Ga 3+ , and Zn 2+ and of Mn(stearate) 2 in oleylamine. The influence of the Mn 2+ loading on the photoluminescence (PL) and magnetic properties of the dots are investigated. Mn:AIGZS QDs exhibit a diameter of ca. 2 nm, a high PL quantum yield (up to 41.3% for a 2.5% doping in Mn 2+), and robust photo-and colloidal stabilities. The optical properties of Mn:AIGZS QDs are preserved upon transfer into water using the glutathione tetramethylammonium ligand. At the same time, Mn:AIGZS QDs exhibit high relaxivity (r 1 = 0.15 mM −1 s −1 and r 2 = 0.57 mM −1 s −1 at 298 K and 2.34 T), which shows their potential applicability for bimodal PL/magnetic resonance imaging (MRI) probes.

ZnS:Mn thin films were prepared by pulsed laser deposition (PLD), and annealed at 300°C, 400°C and 500°C. The effects of annealing temperature on the structure, morphology and optical properties of...

Higher magnetic Mn doped Zn-Cr oxide nanoparticles with general compositional formula MxZn0.95-xCr0.05O have been synthesized by using sol-gel auto combustion technique. Room temperature X-ray diffraction (XRD) technique has been employed to study the structural and microstructural parameters of the as-prepared samples. XRD analysis confirms the phase purity and hexagonal wurtzite structure of all the samples. Replacement of Zn2+ ions by Mn2+ ions shifts peak positions slightly towards the lower angles which in turn expands the lattice lengths ‘a’ from 3.2487 to 3.2528 Å and ‘c’ from 5.2043 to 5.2118 Å. Crystallite size obtained from Scherrer equation was confirmed by Williamson – Hall (W-H) and size – strain plot methods (SSP). Both W-H and SSP methods reveals the tensile type strain for undoped sample and comprehensive type strain for Mn2+ doped samples. Magnetic properties were investigated by using vibrating sample magnetometer. Diluted ferromagnetic behaviour is observed for all the samples and saturation magnetization (MS) increases from 0.0514 to 0.1163 emu/gm. Two-probe technique was employed to understand the dielectric behaviour of the samples as a function of frequency. At lower frequency region, both dielectric constant () and dielectric loss tangent (tan ) shows higher values and decreases with the increasing applied frequency.

In the present study, the applicability of Mn-doped PbS nanoparticle synthesis for eliminating (methylene blue [MB]) dye rapidly from aqueous solutions was investigated. Identical techniques includ...

Mn-doped tetrahedrites Cu12-xMnxSb4S13 (0.1 ≤ x ≤ 0.4) were synthesized by mechanical alloying (MA) and sintered by hot pressing (HP). A single tetrahedrite phase was synthesized by MA without post-annealing, and it was stable without any phase changes after HP. The hot-pressed specimens had a relative density higher than 98.6%. The lattice constant of the Mn-doped samples increased compared to that of undoped Cu12Sb4S13, but no significant change in the lattice constant was observed with a change in Mn content. All Mn-doped tetrahedrites acted as p-type semiconductors, as confirmed from positive Hall and Seebeck coefficient values. The Seebeck coefficient increased with increasing temperature but decreased with increasing Mn content; maximum Seebeck coefficient values of 200−219 μVK-1 were obtained at 323−723 K for x = 0.1. Electrical conductivity increased with increasing temperature and Mn content; the highest electrical conductivity values of (1.76−2.45) × 104 Sm-1 were obtained at 323−723 K for x = 0.4. As a result, Cu11.6Mn0.4Sb4S13 exhibited a maximum power factor of 0.80 mWm-1K-2 at 723 K. As the Mn content increased, both the electronic and lattice thermal conductivities increased, and thus, the total thermal conductivity was the lowest at 0.48–0.63Wm-1K-1 at 323–723 K for x = 0.1. A maximum dimensionless figure of merit of 0.75 was obtained at 723 K for Cu11.7Mn0.3Sb4S13. The MA-HP process is suitable for preparing doped tetrahedrites exhibiting excellent thermoelectric performance.

A unique synthesis route was developed to prepare different metal-doped iron oxide parallelepipeds via a low-temperature light-driven bottom-up chemistry approach devoid of any template molecule to...

Effects of Mn-doped TiO2 nanoparticles on the wettability, printability and thickness of intermetallic layer of SAC30 on a Cu substrate were studied in this paper. Concentration of Mn-doped TiO2 nanoparticles was varied from 0.05 wt.% to 1[Formula: see text]wt.%. The wettability was evaluated in terms of contact angle of solder on the copper substrate and the printability was measured from the volume ratio of printed solder on the copper substrate to volume of stencil opening. The experimental results showed that 0.10[Formula: see text]wt.% Mn-doped TiO2 led to the lowest contact angle while the printability was decreased with the increase of the added nanoparticles and the thinnest intermetallic layer was found at 0.50[Formula: see text]wt.% Mn-doped TiO2 nanoparticles. Mn-doped TiO2 concentration was then optimized using a desirability function to find optimal values for the three responses. It was found that 0.07[Formula: see text]wt.% was the optimal concentration for the three metrics — wettability, printability and thickness of the intermetallic layer.

We present a joint theoretical and experimental investigation on the origin of ferromagnetism in Mn-doped ZnO. Theoretical calculations revealed that the zinc vacancy (VZn) induces ferromagnetic or...

In the commented paper, there are some questionable data which should be explained or corrected by the Authors, Thangamani et al. In this comment, I have tried to pinpoint incorrect data or inconsistencies and to verify the correctness of the data presented in the crystallographic part of the paper.

Although 2D phosphorene has exhibited promising applications in electronic and optoelectronic devices with high carrier mobility and high on/off ratio, the nonmagnetism in pristine phosphorene hind...

Drug delivery with the help of nanoparticles could transport more payloads to tumour site. Owing to their limited accumulation and penetration in the tumour tissues, to increase delivery efficiency is currently still required for applying nanomedicine to treat tumour. Here, we initially report a pressure-driven accumulation of drug-loaded nanoparticles to tumours for efficient tumour therapy with a dry cupping device. The mesoporous Mn-doped silica based nanoparticles delivering 5-aza-2-deoxycytidine and docetaxel were prepared, characterised and used as a model nanomedicine to investigate the potential of dry cupping treatment. For this system, the Mn doping not only endowed the mesoporous silica nanoparticles biodegradability, but also made it much easier to bind a tumour targeting group, which is a G-quadruplex-forming aptamer AS1411. On tumour-bearing mice, the

Mn-doped PIN-PMN-PT ceramics were 90% [001]C textured by reactive templated grain growth (RTGG) with 5 vol% BaTiO3 microplatelets. Hardened properties such as high coercive field (EC) of 14 kV/cm, low dielectric loss (tan δ) of 0.37-0.66%, and high QM of 496 were obtained. Textured Mn-doped ceramics have TC of 219 °C, and a two times greater low-field d33* of 846 pm/V than random ceramics. Rayleigh analysis of textured PIN-PMN-PT ceramics shows that Mn-doping reduces the relative extrinsic contribution of the piezoelectric response to the strain behavior from 38% to 18% (at 4 kV/cm) by reducing irreversible domain wall motion. Mn-doping also reduced the overall strain response of PIN-PMN-PT, but crystallographic texturing increased the intrinsic piezoelectric response of the lattice as evidenced by the increase in d33 (Berlincourt) from 283 pC/N in random ceramics to 341 pC/N in textured ceramics. These results demonstrate that textured Mn-doped PIN-PMN-PT ceramics are excellent candidates for high-power transducer applications.

In this study, iron titanate (FT) and manganese‐doped iron titanate (MFT) nanoparticles were synthesised from a natural mineral, ilmenite ore, using a simple and effective method. X‐ray diffraction analysis confirmed the reduction of crystallite size from 56 to 29 nm with an increase in Mn doping concentration from 0% to 2%. Doping of Mn transformed the agglomerated fine particles into nanosphere‐like morphology with dimensions less than 200 nm. Magnetization studies revealed that FT and MFT were hard ferrimagnetic materials, and beyond 0.8% Mn dopant concentration, reduction in magnetic saturation value of 1.46–1.41 emu g−1 was observed. Resistivity of FT decreased from ≈19 to ≈2 K Ω‐cm with doping Mn and tuning of such electrical property through doping concentration can lead to their application in fabricating spintronic devices. This work suggests a new pathway to synthesise magnetic–semiconducting nanostructures at large scale and in an environment friendly manner from ilmenite ore.

A novel Mn-doped Fe-based metal–organic framework (MOF) Fenton-like catalyst was prepared for the removal of wastewater organic pollutants. The catalyst exhibited good degradation performance, stability, and recyclability for the removal of phenol from water with a maximum catalytic efficiency of 96%. Incorporating a long persistent phosphor in the MOF ensured optimum performance in the dark.