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1.
Indian J Community Med ; 49(1): 152-156, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38425976

RESUMO

Introduction: Alcohol use disorder (AUD) is a significant risk factor for tuberculosis (TB) treatment loss-to-follow-up (LTFU). This field-based study was undertaken to understand the role of AUD and TB treatment LTFU and the reasons behind this association in a rural area of Ballabgarh, Haryana. Material and Methods: TB patients who had completed their treatment and who had been LTFU were included in the study, along with the National TB Elimination Program (NTEP) staff, healthcare providers, family, and community members from Ballabgarh block of the north Indian state of Haryana. In-depth interviews (IDIs) and focused group discussions (FGDs) were conducted to gauge the perceptions of stakeholders regarding reasons for LTFU, especially in the context of alcohol use. Inductive analysis of the transcripts was done in keeping with the grounded theory, and themes with their sub-themes were identified. A conceptual framework of TB-AUD was constructed, and potential areas for intervention were determined. Results: Fifty-eight IDIs and four FGDs were conducted in mid-2018. Almost all key informants and many patient participants believed that alcohol use makes TB patients highly susceptible to treatment LTFU. Key themes identified were shared personality traits and attitudes, combined side effects of anti-tubercular drugs and alcohol use, lack of family support, and an adverse financial situation. Conclusion: These findings call for a change in NTEP's approach to AUD-TB. Interventions may include collecting alcohol use information at patient enrolment and closure, integrating brief interventions for alcohol cessation in NTEP, and linking patients to deaddiction centers with the provision of appropriate dietary and financial support.

2.
Sci Rep ; 13(1): 22062, 2023 Dec 12.
Artigo em Inglês | MEDLINE | ID: mdl-38086892

RESUMO

Considering the current breakthrough in gas sensor technology, we have examined impact of CH4 in the vicinity of pristine MoSSe and Pd/Pt decorated MoSSe monolayers using first principles approach. The negative formation energies confirm structural stability of considered monolayers. The pristine MoSSe monolayer is semiconductor having 1.52 eV direct band gap. This value decreases in the presence of Pd/Pt adatom. Further, adsorption strength of CH4 to monolayers is validated by sensing parameters such as adsorption energy, recovery time, charge transfer and work function. Though we found maximum adsorption energies of - 0.674 and - 0.636 eV for adsorption on Se site of Pd/Pt decorated MoSSe monolayers, the overall sensing response also reveals high sensitivity for Se surface. However, both sites S and Se are favorable for CH4 adsorption. When CH4 is activated on Pd/Pt decorated monolayers, band gaps vary with marginal alterations and transform to direct type. Moreover, optical dielectric response alters strongly in the visible region after activation of CH4 on to Pd/Pt decorated MoSSe monolayers. This result identifies sensitivity response in the presence of methane which may detect CH4 gas easily in visible region. Generally, these interesting results of methane sensing study provoke Pd/Pt decorated MoSSe monolayers to be good sensing nano-device.

3.
Sci Rep ; 13(1): 21551, 2023 Dec 06.
Artigo em Inglês | MEDLINE | ID: mdl-38057362

RESUMO

First-principles methods have been employed here to calculate structural, electronic and optical properties of CsPbI3 and CsPbBr3, in monolayer and heterostructure (HS) (PbI2-CsBr (HS1), CsI-CsBr (HS2), CsI-PbBr2 (HS3) and PbI2-PbBr2 (HS4)) configurations. Imaginary frequencies are absent in phonon dispersion curves of CsPbI3 and CsPbBr3 monolayers which depicts their dynamical stability. Values of interfacial binding energies signifies stability of our simulated heterostructures. The CsPbI3 monolayer, CsPbBr3 monolayer, HS1, HS2, HS3 and HS4 possess direct bandgap of 2.19 eV, 2.73 eV, 2.41 eV, 2.11 eV, 1.88 eV and 2.07 eV, respectively. In the HS3, interface interactions between its constituent monolayers causes substantial decrease in its resultant bandgap which suggests its solar cell applications. Static dielectric constants of all simulated heterostructures are higher when compared to those of pristine monolayers which demonstrates that these heterostructures possess low charge carrier recombination rate. In optical absorption plots of materials, the plot of HS3 displayed a red shift and depicted absorption of a substantial part of visible spectrum. Later on, via Shockley-Queisser limit we have calculated solar cell parameters of all the reported structures. The calculations showed that HS2, HS3 and HS4 showcased enhanced power conversion efficiency compared to CsPbI3 and CsPbBr3 monolayers when utilized as an absorber layer in solar cells.

4.
Cureus ; 15(4): e37626, 2023 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-37206499

RESUMO

BACKGROUND: A significant portion of India's 1.2 billion population consists of elderly individuals, accounting for approximately 8.6%, who incur substantial out-of-pocket (OOP) healthcare expenses. Any policy for the elderly should encompass financial protection from illness-related expenditures. However, the lack of comprehensive information on OOP expenditure and its determinants precludes such action. METHODS: We conducted a cross-sectional study of 400 elderly persons residing in the rural town of Ballabgarh. The participants were randomly selected using the health demographic surveillance system. We utilized questionnaires and tools to assess the costs associated with outpatient and inpatient services in the previous year, as well as gather information on socio-demographics (individual characteristics), morbidity (motivation for seeking care), and social engagement (health-seeking). RESULTS: A total of 396 elderly persons participated, with a mean (SD) age of 69.4 (6.7), and 59.4% females. Nearly 96% and 50% of the elderly availed of outpatient and inpatient services, respectively, in the preceding year. The mean (IQR) annual OOP expenditure, as per the consumer price index 2021, was INR 12,543 (IQR, INR 8,288-16,787), with a median of INR 2,860 (IQR, INR 1,458-7,233), explained significantly by sex, morbidity status, social engagement, and mental health. CONCLUSION: In low-middle-income countries like India, policymakers may consider pre-payment mechanisms like health insurance for the elderly, using such prediction scores.

5.
Digit Health ; 9: 20552076231164098, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37034306

RESUMO

Dealing with the threats of vector-borne diseases necessitates robust disease surveillance systems. The gathered information from surveillance studies is used to evaluate the effectiveness of control measures. It also guides the allocation of resources within the healthcare system. The disease surveillance data also identify high-risk populations or geographic areas to target interventions. Because of the importance of surveillance in decision-making and its timely requirement, real-time data collection is vital. A few advantages of real-time data collection apps are building powerful digital forms, exporting data for quick analysis in various formats, and being open-source. These apps automate data collection and transfer to an online server even without an internet connection. While collecting disease surveillance data digitally one crucial aspect lacking is data quality. This paper aims to present the importance of dashboards that includes paradata in improving data quality using real-time data collection tools in disease surveillance. Various types of paradata such as timestamps, geo-referencing, audio recording and so on help enhance the quality of data and can help monitor and evaluate surveillance staff. The outcomes of the paradata analysis may lead to the retraining of the surveillance team and even re-planning of surveillance. Undoubtedly, real-time data collection is the way of the future in any field-based study, and studies should be planned in conjunction with paradata to ensure that high-quality data are recorded.

6.
Cureus ; 15(2): e35330, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36974253

RESUMO

AIM: We aimed to estimate the coverage of a population-based Non-communicable Disease (NCD) screening program using lot quality assurance sampling (LQAS) and identify factors affecting its implementation in district Nuh of Haryana, India. METHOD: A mixed-methods study was conducted with an initial LQAS coverage survey, followed by in-depth interviews. Thirty lots (villages or towns) were sampled in the district, and 20 people aged ≥ 30 years were randomly sampled from each lot. Participants were asked about receiving services under the program. Weighted coverage estimates, which is the proportion of people who had received screening services, were estimated. Using a decision value of more than nine negative responses out of 20 persons, all 30 lots were classified as good or poor performing. In-depth interviews of healthcare providers of good performing lots and district-level health officials were conducted, and factors affecting program implementation were identified. FINDINGS: Six hundred participants were interviewed (mean age of 44.8 years, 57.2% women). The proportion of people who reported having undergone screening for diabetes or hypertension was 2.1%, and all lots performed poorly based on decision value. Key factors affecting the program were leadership, prioritization of NCD activities, ensuring human resource and material requirements, regular incentives, qualities of workers, and community engagement. CONCLUSION: The screening coverage under the population-based NCD screening program was low in district Nuh, Haryana. This needs to be improved by addressing the identified health system and community-related factors.

7.
Sci Rep ; 13(1): 699, 2023 Jan 13.
Artigo em Inglês | MEDLINE | ID: mdl-36639684

RESUMO

In this research, the adsorption of targeted noxious gases like H2S, HF and H2 on penta-PdAs2 monolayer are deeply studied by means of the density functional theory (DFT). After the capturing of three kind of pollutant gases (H2S, HF and H2), it is observed that, the electronic properties are slightly affected from the pristine one. In all cases, the physisorption interaction found with adsorption energy of - 0.49, - 0.39 and - 0.16 eV for H2S, HF and H2 gases, respectively. Which is exposed that H2S gas strongly absorbed on penta-PdAs2 nanosheet. In case of HF (H2) gas adsorbed systems, the obtained charge transfer is + 0.111 e (+ 0.037 e), revealed that the electrons are going to PdAs2 nanosheet from the HF (H2) molecules. Further, under the non-equilibrium Green's function (NEGF) theory, the IV response and sensitivity of absorbed H2S, HF and H2 have been discussed. The results demonstrate that the H2S molecules on PdAs2 has suitable adsorption strength and explicit charge transfer compared with other targeted molecules. Hence, our novel findings of H2S, HF and H2 targeted gas sensing on penta-PdAs2 nanosheet might provide reference-line to design modern gas sensor device at the nano-scale.

8.
RSC Adv ; 12(40): 25924-25931, 2022 Sep 12.
Artigo em Inglês | MEDLINE | ID: mdl-36199593

RESUMO

Two-dimensional (2D) hybrid halide perovskites have been scrutinized as candidate materials for solar cells because of their tunable structural and compositional properties. Results based on density functional theory demonstrate its thickness-dependent stability. We have observed that the bandgap decreases from the mono- to quad-layer because of the transformation from 2D towards 3D. Due to the transformation, the carrier mobility is lowered with the corresponding smaller effective mass. On the other hand, the multilayer structures have good optical properties with an absorption coefficient of about 105 cm-1. The calculated absorption spectra lie between 248 nm and 496 nm, leading to optical activity of the 2D multilayer CH3NH3PbI3 systems in the visible and ultraviolet regions. The strength of the optical absorption increases with an increase in thickness. Overall results from this theoretical study suggest that this 2D multilayer CH3NH3PbI3 is a good candidate for photovoltaic and optoelectronic device applications.

9.
ACS Appl Mater Interfaces ; 14(30): 34603-34611, 2022 Aug 03.
Artigo em Inglês | MEDLINE | ID: mdl-35856169

RESUMO

The application of strain to photovoltaics (PVs), thermoelectrics (TEs), and semiconductors often has substantial impacts on the fundamental properties governing the efficiency of these materials. In this work, we investigate two stable phases of hybrid organic-inorganic two-dimensional (2D) perovskites (2DPKs) and their response to the application of tensile and compressive strain of up to 5%. These 2D MAPbI3 analogues are known to exhibit strongly anisotropic properties and have been put forward as excellent candidates for application in mixed PV-TE devices. Our results, stemming from ab initio density functional theory calculations and investigation of transport properties through the Boltzmann transport equations, further elucidate the key properties contributing to the success of these materials. In particular, both the M1 and M2 phases exhibit stable structures between -5 and 5% biaxial strains. The M2 phase exhibits an excellent 23.8% power conversion efficiency under the application of 5% tensile strain. Furthermore, we analyze the effects of spin-orbit coupling on the band structures of both phases, revealing great potential for spintronic applications with the M2 phase, demonstrating Rashba coefficients up to 3.67 eV Å.

10.
Phys Chem Chem Phys ; 24(25): 15292-15304, 2022 Jun 29.
Artigo em Inglês | MEDLINE | ID: mdl-35703165

RESUMO

With an inspiration of sensing toxic gases, this study is aimed at exploring the potential of a Janus MoSSe monolayer as a gas sensor. Here, we focused on the adsorption mechanism after the exposure to NH3, NO2, NO, HCN, CO2, CO, H2, H2S and SO2 on both the S and Se sites of MoSSe. We investigated the structural geometries and electronic, sensing and electron-transport properties before and after adsorption of the aforementioned gases by applying DFT calculations. The results revealed the higher binding strength of NO2/SO2 and NO on Se and S sites, respectively, among all the gas adsorptions on the MoSSe monolayer. Moreover, DOS revealed strong orbital contributions at EF, which confirmed the n/p-type semiconducting character for the NO/NO2 adsorbed MoSSe monolayer. Further, the specific work function alteration after the adsorption of NO2, SO2 and NO indicated that the MoSSe monolayer could be a potential candidate for Φ-type gas sensor at 300 K. Additionally, the higher electron transmission and prominent electrical response values of 76.4/56 µA and 82 µA suggested a maximum sensitivity of 98%/89% and 93% at a particular voltage for NO2/SO2 and NO on Se and S sites, respectively. Thus, our results promote surface selectivity, i.e. S or Se site, and better sensitivity with recycling potential could enable sensing application of the Janus MoSSe monolayer for toxic gases detection.


Assuntos
Briófitas , Dióxido de Nitrogênio , Adsorção , Teoria da Densidade Funcional , Gases
11.
Cureus ; 14(5): e25030, 2022 May.
Artigo em Inglês | MEDLINE | ID: mdl-35591891

RESUMO

Introduction India is the biggest contributor to the global incidence of tuberculosis (TB). A major reason behind the persistently high incidence of TB in India is treatment loss-to-follow-up (LTFU). The consequences of LTFU include continuous transmission to uninfected individuals, drug resistance, and a higher rate of death in incompletely treated patients. It is a significant hurdle to making India 'TB-Free' by 2025. Hence, we conducted a community-based qualitative study to understand the determinants of treatment of LTFU in TB patients in the Faridabad district of Haryana, India.  Methodology We enrolled TB patients who had completed treatment as well as those who had been LTFU. We also enrolled National Tuberculosis Elimination Programme (NTEP) functionaries, healthcare providers, family members, and community members. In-depth interviews (IDIs) and focus group discussions (FGDs) were conducted to understand stakeholders' perceptions of reasons for LTFU. The grounded theory approach was used with inductive analysis. Data were triangulated from stakeholders' interviews. Themes and sub-themes were identified. A Health Belief Model for TB treatment completion was developed. Results Fifty-eight IDIs and four FGDs were conducted between May-June 2018. The major themes influencing the treatment of LTFU which emerged from the analyses were - the role of external motivators, regular use of alcohol, lack of/or inappropriate knowledge related to treatment, lack of family support, and side effects of anti-tubercular drugs, and a poor experience with the health system. Stigma was not found to be a major determinant - in the few cases that it affected treatment, it spurred treatment completion rather than LTFU. "I completed the course with great difficulty. Then they started it again! […] I said-Sorry, sir, I can't go through this again. It's better to die once than to die a thousand deaths." - Fifty-one-year-old male patient who was lost-to-follow-up on re-treatment. Discussion This study was a comprehensive multi-stakeholder qualitative undertaking to identify the determinants of LTFU. Our qualitative approach explained the associations between LTFU and certain factors (e.g.: alcohol use, side effects, etc.) found in previous quantitative studies. The strength of this study was that we ensured participation by patients as well as all district-level stakeholders from the national health programme, which no previous qualitative study on the treatment LTFU in India had achieved. The entire qualitative analysis was done manually and in Hindi (the language in which interviews were conducted). Hence, no data were lost in translation. The limitation was that its findings were specific to the study area and study population, as is the case with all qualitative studies. Conclusion All healthcare providers should be sensitised to the determinants of treatment LTFU, so that they can pay special attention to at-risk patients and take appropriate steps to prevent LTFU. For instance, patients with a pattern of regular alcohol use should be counselled and may be referred to deaddiction centres, with the continuum of care maintained. The journey from tuberculosis diagnosis to treatment completion is often extremely traumatic for the patient. The onus to successfully complete treatment lies not with the patient alone, but with the health system as well.

12.
Phys Chem Chem Phys ; 24(15): 8867-8880, 2022 Apr 13.
Artigo em Inglês | MEDLINE | ID: mdl-35362497

RESUMO

The pivotal impact of organic cation rotation may result in structural complexity in two-dimensional (2D) halide-based hybrid perovskites. The crucial role of the orientation of the organic cation (MA = CH3NH3+) in the 2D Ruddlesden-Popper phase (2DRP) is explored using density functional theory (DFT) calculations. Our results propose that the MA cation rotation imposes the structural distortion in the PbI6 network, which is further responsible for the changes in nature and value of the electronic bandgap, charge density and optical absorption. The spin-orbit coupling effect results in a wide range of Rashba splitting parameters being obtained from 0.04 to 0.278 eV Å. The simulated optical absorption spectra suggest that absorption edge for the alignment of the MA molecule along the X-axis (having unidirectional hydrogen bonds) is higher than that of the alignment of the MA cation in the z-direction. Furthermore, the unidirectional hydrogen bonds between the MA cation and Pb-I framework significantly help to achieve the highest mobility of charge carriers up to ∼1437 cm2 V-1 s-1. Such high mobility leads to supremacy in the thermoelectric transport properties, which are investigated for the first time with the rotation of the MA cation. The calculated thermoelectric power factor at room temperature shows exceptionally high values (up to 2.04 mW m-1 K-2), leading to desired applications in thermoelectric devices. The rotation of the MA cation might be utilized as a useful tool for variation in optical absorption and transport coefficients. Therefore, our results spark the idea to develop 2D perovskites for real-time perspective in solar and heat energy utilization.

13.
Toxicol Ind Health ; 38(3): 139-150, 2022 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-35230206

RESUMO

Blood lead level (BLL) is the primary biomarker for lead-exposure monitoring in occupationally exposed workers. We evaluated occupational lead-exposure (OE) impact on cardiopulmonary functions in lead-acid battery recycling unit workers. Seventy-six OE cases and 30 control subjects were enrolled for questionnaire-based socio-demographic, dietary, tobacco usage, and medical history data. Anthropometric measurements, systolic and diastolic blood pressure (SBP and DBP), and pulmonary function tests were performed. Venous blood was collected for BLL, hematological analysis, and biochemical analysis. OE caused a significant increase in BLL, SBP, DBP, and small airways obstruction in lung function tests. It also impaired platelet indices, affected renal and liver biochemical measurements, and promoted oxidative stress and DNA damage. Multilinear regression analysis suggested that BLL affected SBP (ß = 0.314, p = .034) and increased small airways obstruction (FEV1/FVC, ß = -0.37, p = .05; FEV25-75%, ß = -0.351, p = .016). Higher BLL appears to be an independent modulator of hypertension and poor pulmonary function upon occupational lead exposure in lead-acid battery recyclers.


Assuntos
Hipertensão , Exposição Ocupacional , Pressão Sanguínea/fisiologia , Estudos Transversais , Humanos , Hipertensão/etiologia , Chumbo , Exposição Ocupacional/efeitos adversos , Exposição Ocupacional/análise
14.
Sci Rep ; 12(1): 2964, 2022 Feb 22.
Artigo em Inglês | MEDLINE | ID: mdl-35194055

RESUMO

We studied the physical, electronic transport and optical properties of a unique pentagonal PdQ2 (Q = S, Se) monolayers. The dynamic stability of 2Dwrinkle like-PdQ2 is proven by positive phonon frequencies in the phonon dispersion curve. The optimized structural parameters of wrinkled pentagonal PdQ2 are in good agreement with the available experimental results. The ultimate tensile strength (UTHS) was calculated and found that, penta-PdS2 monolayer can withstand up to 16% (18%) strain along x (y) direction with 3.44 GPa (3.43 GPa). While, penta-PdSe2 monolayer can withstand up to 17% (19%) strain along x (y) dirrection with 3.46 GPa (3.40 GPa). It is found that, the penta-PdQ2 monolayers has the semiconducting behavior with indirect band gap of 0.94 and 1.26 eV for 2D-PdS2 and 2D-PdSe2, respectively. More interestingly, at room temperacture, the hole mobilty (electron mobility) obtained for 2D-PdS2 and PdSe2 are 67.43 (258.06) cm2 V-1 s-1 and 1518.81 (442.49) cm2 V-1 s-1, respectively. In addition, I-V characteristics of PdSe2 monolayer show strong negative differential conductance (NDC) region near the 3.57 V. The Shockly-Queisser (SQ) effeciency prameters of PdQ2 monolayers are also explored and the highest SQ efficeinciy obtained for PdS2 is 33.93% at -5% strain and for PdSe2 is 33.94% at -2% strain. The penta-PdQ2 exhibits high optical absorption intensity in the UV region, up to 4.04 × 105 (for PdS2) and 5.28 × 105 (for PdSe2), which is suitable for applications in optoelectronic devices. Thus, the ultrathin PdQ2 monolayers could be potential material for next-generation solar-cell applications and high performance nanodevices.

15.
Sci Rep ; 12(1): 2593, 2022 Feb 16.
Artigo em Inglês | MEDLINE | ID: mdl-35173206

RESUMO

Strain-mediated magnetism in 2D materials and dilute magnetic semiconductors hold multi-functional applications for future nano-electronics. Herein, First principles calculations are employed to study the influence of biaxial strain on the magnetic properties of Co-doped monolayer [Formula: see text]. The non-magnetic [Formula: see text] shows ferromagnetic signature upon Co doping due to spin polarization, which is further improved at low compressive (-2 %) and tensile (+2 %) strains. From the PDOS and spin density analysis, the opposite magnetic ordering is found to be favourable under the application of compressive and tensile strains. The double exchange interaction and p-d hybridization mechanisms make Co-doped [Formula: see text] a potential host for magnetism. More importantly, the competition between exchange and crystal field splittings, i.e. ([Formula: see text]), of the Co-atom play pivotal roles in deciding the values of the magnetic moments under applied strain. Micromagnetic simulation reveals, the ferromagnetic behavior calculated from DFT exhibits low-field magnetic reversal (190 Oe). Moreover, the spins of Co-doped [Formula: see text] are slightly tilted from the easy axis orientations showing slanted ferromagnetic hysteresis loop. The ferromagnetic nature of Co-doped [Formula: see text] suppresses beyond [Formula: see text] strain, which is reflected in terms of decrease in the coercivity in the micromagnetic simulation. The understanding of low-field magnetic reversal and spin orientations in Co-doped [Formula: see text] may pave the way for next-generation spintronics and straintronics applications.

16.
J Biomol Struct Dyn ; 40(2): 712-721, 2022 02.
Artigo em Inglês | MEDLINE | ID: mdl-32914690

RESUMO

Our work investigates the interaction of synthesized graphene with the SARS-CoV-2 virus using molecular docking and molecular dynamics (MD) simulation method. The layer dependent inhibitory effect of graphene nanosheets on spike receptor-binding domain of 6LZG, complexed with host receptor i.e. angiotensin-converting enzyme 2 (ACE2) of SARS-CoV-2 was investigated through computational study. Graphene sample was synthesized using mechanical exfoliation with shear stress and its mechanism of inhibition towards the SARS-CoV-2 virus was explored by molecular docking and molecular dynamics (MD) simulation method. The thermodynamics study for the free binding energy of graphene towards the SARS-CoV-2 virus was analyzed. The binding energy of graphene towards the virus increased with an increasing number of layers. It shows the highest affinity of -17.5 Kcal/mol in molecular docking while ΔGbinding is in the order of -28.01 ± 0.04 5 Kcal/mol for the seven-layers structure. The increase in carbon layers is associated with an increasing number of edge sp3 -type carbon, providing greater curvature, further increase the surface reactivity responsible for high binding efficiency. The MD simulation data reveals the high inhibition efficiency of the synthesized graphene towards SARS-CoV-2 virus which would help to design future in-vitro studies. The graphene system could find potential applications in personal protective equipment and diagnostic kits.Communicated by Ramaswamy H. Sarma.


Assuntos
COVID-19 , Grafite , Humanos , Simulação de Acoplamento Molecular , SARS-CoV-2 , Glicoproteína da Espícula de Coronavírus
17.
Sci Rep ; 11(1): 21921, 2021 Nov 09.
Artigo em Inglês | MEDLINE | ID: mdl-34753984

RESUMO

In the present work, we have modified the physical and electronic structure of Sb/Ge core/shell nanowires via vacancy creation and doping with foreign atoms with the aim to improve their thermoelectric energy conversion efficiency. Sb/Ge-NWs having a diameter of 1.5 Å show metallicity with 2Go quantum conductance. The stability of the nanowires is assessed through the calculation of their formation energy. The formation of one vacancy at either the Sb- and Ge-site modifies substantially the electronic properties. From the comparison of the thermoelectric properties of the nanowires with and without the vacancy, we have found that the figure of merit for the Sb/Ge NW with one Sb vacancy increases of 0.18 compared to the pristine NW. The NW doping with different transition metals: Fe, Co, Ni and Cu have been found to also enhance the conversion efficiency. Thus, our calculations show that the thermoelectric performance of metal-semiconductor core-shell NWs can be in principle improved as much as 80% by vacancy formation and doping.

18.
Cureus ; 13(9): e18388, 2021 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-34729269

RESUMO

INTRODUCTION: The estimates of prevalence of depression among adolescents in the Indian community are limited; most studies are institution-based. Early identification and management of depression can provide significant health dividends to the affected adolescents, and better health consequences in their adulthood. OBJECTIVES: To determine the prevalence of depression among 10- to 19-year-old residents in a rural area of Haryana, India, and to assess factors associated with adolescent depression. METHODS: A sample of 630 adolescents (between 10 to 19 years of age) residing in the selected area of Ballabgarh (Haryana) were selected using simple random sampling technique. Home visits were made, in which participants were administered the Patient Health Questionnaire (PHQ)-9 to screen for depression. The prevalence and 95%CI were estimated. In addition, a semi-structured interview schedule was administered to identify sociodemographic variables and other factors associated with adolescent depression. Unadjusted and adjusted OR were reported with p-value, using multivariable logistic regression analysis. RESULTS: The age-adjusted prevalence of depression among adolescents was 20.6% (95% CI: 16.9-24.2). The prevalence in late and early adolescence was 11.7% and 8.9%, respectively. It was higher in girls (22.3%) as compared with boys (19.2%). Mild depression was the most common type identified. On multivariable logistic regression, depression was associated with birth order of four or more (Adjusted OR (AOR)=3.0 (95%CI: 1.4-6.3), p<0.01), presence of long-standing illness in the past three months (AOR=3.0 (95%CI: 1.4-6.1), p<0.01), impaired self-perceived body image (AOR=2.9 (95%CI: 1.8-4.6), p<0.01), and perceived stressful event(s) in the past six months (AOR=4.9 (95%CI: 2.8-8.6), p<0.01). CONCLUSION:  One in five adolescents was screened positive for depression, necessitating focus on screening and early identification of depressive symptoms, especially at the primary care level.

19.
J Phys Chem Lett ; 12(30): 7319-7327, 2021 Aug 05.
Artigo em Inglês | MEDLINE | ID: mdl-34319749

RESUMO

The density functional theory (DFT) based analysis of cubic phase cesium lead chloride (CsPbCl3) perovskite is reported. Here the absence of imaginary frequencies in the phonon dispersion curves of unit cell of bulk and monolayer CsPbCl3 showed that both the structures are dynamically stable. The pristine CsPbCl3 monolayer is a wide bandgap semiconductor with an energy gap of 3.24 eV; therefore, an approach to alter its properties was adopted by doping Mn at the Pb-site and Nb at the Cs-site, respectively. In these Mn- and Nb-doped CsPbCl3 monolayers, intermediate states were generated in both the cases due to Mn-3d and Nb-4d orbitals, respectively, which makes the transfer of excited photoelectrons easier from the valence band to the conduction band. The absorption coefficient plots of Mn-doped and Nb-doped CsPbCl3 monolayers indicated that their absorption edges get shifted toward low photon energy, i.e. red shifted compared to the pristine CsPbCl3 monolayer. As both the impurity atoms considered are transition metals, we have also taken into account the effect of spin polarization on electronic and optical properties of doped monolayers. Solar cell parameters of all of these monolayers have been calculated using the Shockley-Queisser (SQ) limit. The short-circuit current density (Jsc) of the Nb-doped CsPbCl3 monolayer was obtained around 655.45 A/m2, and the efficiency of this material came out to be around 15.68%. For the Mn-doped CsPbCl3 monolayer the value of Jsc came to be around 525.68 A/m2 and showed strikingly high efficiency of 26.88% thus being a suitable candidate for its application as an absorber layer in solar cells.

20.
ACS Appl Mater Interfaces ; 13(17): 20296-20304, 2021 May 05.
Artigo em Inglês | MEDLINE | ID: mdl-33877795

RESUMO

Fullerene derivatives with a strong electron-accepting ability play a crucial role in enhancing both the performance and stability of perovskite solar cells (PSCs). However, most of the used fullerene molecules are based on [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), which limits the device performance due to difficulties in preparing high-quality and uniform thin films. Herein, solution-processable azahomofullerene (AHF) derivatives (abbreviated as AHF-1 and AHF-2) are reported as novel and effective electron-transport layers (ETLs) in p-i-n planar PSCs. Compared to the control PCBM ETL-based PSCs, the devices based on AHFs exhibit higher photovoltaic performances, which is attributed to the enhanced charge-transport properties and improved layer morphology leading to a maximum power conversion efficiency (PCE) of 20.21% in the case of the device based on AHF-2 ETL. Besides, due to the preferable energy band alignment with the perovskite layer, reduced trap states, and suppressed charge recombination, the device with AHF-2 ETL exhibits significantly suppressed hysteresis and improved stability under both ambient and thermal conditions.

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