Rakhesh Vamadevan, Vaisakh Rajendra Kumar, Jerry Saji
Undoped and Lithium (Li) doped Zinc Oxide (ZnO)films were prepared by Successive Ionic Layer Adsorption and Reaction (SILAR) technique using 0.1M Zinc Sulphate with Ammonia as the cationic solution. Doping is done at different atomic weight percentage (atm. wt%) 5, 10 and 15 by adding Lithium Chloride to the cationic solution. The samples were annealed at 500◦C for one hour after deposition. The UV-Visible Transmittance and Absorbance of the samples were recorded from 250nm to 900nm.The reflectance data of the samples were estimated and the plot of reflectance suggested that the quality of the films is good except for Li:ZnO film at 5atm.wt%.The Optical constants ’n’ and ’k’ were calculated for different incident wavelengths on the samples. The variation of optical constants with incident wavelengths suggested that the Li: ZnO sample at 5atm.wt% has relatively high values when compared to other samples. The Urbach energy (Ee) or width of band tail is calculated from the (lnα-hν) plot and the Optical bandgap energy of the samples were calculated fron the (αhν)2 − hν plot. The bandgap energy was observed to be high for the undoped samples and decreases to normal value for 5atm.wt% sample. The bandgap energy again increases with doping concentration. The Urbach energy is found to be increasing with increase in doping concentration. These variations could be explained using the amorphous-crystalline nature and defect related effects in the samples due to doping.
{"title":"Optical bandgap and width of Urbach tail of lithium doped zinc oxide films deposited by SILAR method","authors":"Rakhesh Vamadevan, Vaisakh Rajendra Kumar, Jerry Saji","doi":"10.1063/5.0061016","DOIUrl":"https://doi.org/10.1063/5.0061016","url":null,"abstract":"Undoped and Lithium (Li) doped Zinc Oxide (ZnO)films were prepared by Successive Ionic Layer Adsorption and Reaction (SILAR) technique using 0.1M Zinc Sulphate with Ammonia as the cationic solution. Doping is done at different atomic weight percentage (atm. wt%) 5, 10 and 15 by adding Lithium Chloride to the cationic solution. The samples were annealed at 500◦C for one hour after deposition. The UV-Visible Transmittance and Absorbance of the samples were recorded from 250nm to 900nm.The reflectance data of the samples were estimated and the plot of reflectance suggested that the quality of the films is good except for Li:ZnO film at 5atm.wt%.The Optical constants ’n’ and ’k’ were calculated for different incident wavelengths on the samples. The variation of optical constants with incident wavelengths suggested that the Li: ZnO sample at 5atm.wt% has relatively high values when compared to other samples. The Urbach energy (Ee) or width of band tail is calculated from the (lnα-hν) plot and the Optical bandgap energy of the samples were calculated fron the (αhν)2 − hν plot. The bandgap energy was observed to be high for the undoped samples and decreases to normal value for 5atm.wt% sample. The bandgap energy again increases with doping concentration. The Urbach energy is found to be increasing with increase in doping concentration. These variations could be explained using the amorphous-crystalline nature and defect related effects in the samples due to doping.","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"56 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73106929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
It was performed the systematic investigation of chemical modification regularities of the electronic structure at the composition changes of "ideal" SiS2 crystal by the self-consistent density functional theory method in a supercell model. It was analyzed the phases obtained during the introduction of Li and Na impurity atoms a van der Waals (vdW) space as well as during changing silicon disulfide structure due to the appearance of atomic vacancies in cation and anion sublattices (nonstoichiometry effects). The features of chemical bonding in the defect-free and defective SiS2 crystals were analyzed based on electronic density distribution maps. Electronic density maps clearly show the covalent-ionic bond nature within the chains with the predominant charge concentration on Si–S bonds as well as the weak van der Waals bond components between chains with the participation of silicon electronic lone pair.
{"title":"First-principle calculations of the electronic structure of intrinsic defects and impurities of alkali metals in SiS2","authors":"D. Bletskan, V. Vakulchak, A. Malets","doi":"10.1063/5.0060906","DOIUrl":"https://doi.org/10.1063/5.0060906","url":null,"abstract":"It was performed the systematic investigation of chemical modification regularities of the electronic structure at the composition changes of \"ideal\" SiS2 crystal by the self-consistent density functional theory method in a supercell model. It was analyzed the phases obtained during the introduction of Li and Na impurity atoms a van der Waals (vdW) space as well as during changing silicon disulfide structure due to the appearance of atomic vacancies in cation and anion sublattices (nonstoichiometry effects). The features of chemical bonding in the defect-free and defective SiS2 crystals were analyzed based on electronic density distribution maps. Electronic density maps clearly show the covalent-ionic bond nature within the chains with the predominant charge concentration on Si–S bonds as well as the weak van der Waals bond components between chains with the participation of silicon electronic lone pair.","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72631837","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Detail study of the structural and magnetic properties of oxide systems, Ca3Co2-XGeXO6 (X = 0.000, 0.015 and 0.030), have been carried out using X-ray diffraction (XRD) and dc magnetization techniques respectively. Rietveld refinement of room temperature XRD data shows that all the Ge doped compounds are isostructural with Ca3Co2O6 (CCO) and there is no remarkable change in lattice parameters. At the same time, it is evident from magnetization study that ferromagnetic intrachain coupling gradually increases with Ge substitution. Whereas no significant modification is observed in the interaction strength of surrounding FM chains with Ge doping. Thus, the strengthening of intrachain interaction results in ideal one-dimensional behavior at high temperature in Ge substituted compounds compared to CCO.
{"title":"Strengthening of ferromagnetic intrachain coupling by Ge substitution in quasi-one-dimensional spin chain compound: Ca3Co2O6","authors":"S. De, A. Banerjee","doi":"10.1063/5.0061949","DOIUrl":"https://doi.org/10.1063/5.0061949","url":null,"abstract":"Detail study of the structural and magnetic properties of oxide systems, Ca3Co2-XGeXO6 (X = 0.000, 0.015 and 0.030), have been carried out using X-ray diffraction (XRD) and dc magnetization techniques respectively. Rietveld refinement of room temperature XRD data shows that all the Ge doped compounds are isostructural with Ca3Co2O6 (CCO) and there is no remarkable change in lattice parameters. At the same time, it is evident from magnetization study that ferromagnetic intrachain coupling gradually increases with Ge substitution. Whereas no significant modification is observed in the interaction strength of surrounding FM chains with Ge doping. Thus, the strengthening of intrachain interaction results in ideal one-dimensional behavior at high temperature in Ge substituted compounds compared to CCO.","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"13 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82171514","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dye-sensitized solar cells (DSSCs) can be a promising alternative of conventional silicon-based photovoltaics due to facile manufacturing and low-material cost and ability to work even under low illumination condition. Here in, the counter electrode (CE)-based on pencil graphite material was prepared with the facile and cost-efficient method for DSSC applications. We evaluated the performance of this CE by measuring the power conversion efficiency of fabricated DSSC. The DSSC fabricated using pencil graphite counter electrode demonstrates nearly comparable efficiency over that of traditional Pt-electrode.
{"title":"Pencil graphite as a counter electrode for applications in DSSCs","authors":"Deeksha Kharkwal, N. Sharma, S. Gupta, C. Negi","doi":"10.1063/5.0060826","DOIUrl":"https://doi.org/10.1063/5.0060826","url":null,"abstract":"Dye-sensitized solar cells (DSSCs) can be a promising alternative of conventional silicon-based photovoltaics due to facile manufacturing and low-material cost and ability to work even under low illumination condition. Here in, the counter electrode (CE)-based on pencil graphite material was prepared with the facile and cost-efficient method for DSSC applications. We evaluated the performance of this CE by measuring the power conversion efficiency of fabricated DSSC. The DSSC fabricated using pencil graphite counter electrode demonstrates nearly comparable efficiency over that of traditional Pt-electrode.","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"108 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75881058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The molecule 2-methyl-3-hydroxypyridine has been studied systematically using ab initio calculations in ground electronic state (S0). In this paper, we have focused to investigate the methyl torsional potential barrier and its origin in the S0 state of the molecule. Hartree-Fock (HF), second order Mollar-Plesset perturbation (MP2) and B3LYP density functional level of theories with various types of Gaussian basis sets were used to obtain the minimum energy conformation of the molecule. B3LYP/TZVP level of theory were used for further investigations along with natural bond orbital (NBO) calculations which have been performed to get insight into the barrier potential formation. The present study reveals that the local interactions to methyl group are the responsible term for the formation of the barrier potential.
{"title":"Ab initio study of three-fold methyl torsion in 2-methyl-3-hydroxypyridine in ground electronic state (S0)","authors":"A. Srivastava, S. Saxena","doi":"10.1063/5.0061173","DOIUrl":"https://doi.org/10.1063/5.0061173","url":null,"abstract":"The molecule 2-methyl-3-hydroxypyridine has been studied systematically using ab initio calculations in ground electronic state (S0). In this paper, we have focused to investigate the methyl torsional potential barrier and its origin in the S0 state of the molecule. Hartree-Fock (HF), second order Mollar-Plesset perturbation (MP2) and B3LYP density functional level of theories with various types of Gaussian basis sets were used to obtain the minimum energy conformation of the molecule. B3LYP/TZVP level of theory were used for further investigations along with natural bond orbital (NBO) calculations which have been performed to get insight into the barrier potential formation. The present study reveals that the local interactions to methyl group are the responsible term for the formation of the barrier potential.","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"18 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81330175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Using a simple variational method, we have studied the zero field electronic specific heat (Cv) as a function of temperature of Anderson lattice model used for rare earth manganites doped with alkaline earths namely ( where Re=La, Pr, Nd etc., and A= Ca, Sr, Ba etc.) which exhibit colossal magnetoresistance (CMR), metalinsulator transition & many other poorly understood phenomena . We have already used this variational method to study the zero field electronic & magnetic properties like electrical resistivity & magnetic susceptibility of doped CMR manganites. We have taken two band (l-b) Anderson lattice model Hamiltonian for manganites in the strong electronlattice JahnTeller (JT) coupling regime to study the temperature dependence of C vin these compounds. We have also observed the role of the model parameters e.g. local Coulomb repulsionU, strong ferromagnetic Hund’s Rule coupling JH between eg& t2g spins & hybridization Vk between l– polarons& d electrons of the same spins on Cv&linear coefficient Cv/ T. We find from our results that as the temperature is lowered below a critical temperature Tc (˷100 K), there is an anomaly (sharp peak) in both Cv(T) &Cv/T beyond which it falls off for particular values of JH, V & doping values x resembling with the key feature of many CMR compounds La0.815 Sr0.185 MnO3 & Pr0.6-xBixSr0.4MnO3(x= 0.00.15). The observed low temperature peak in Cv(T) becomes progressively broader & shifts to higher temperature region on increasing Vk or JH or doping x value. The specific heat anomaly near Tc ˷ 100 K is related to magnetic ordering due to the paramagneticferromagnetic transitions and magnetic inhomogeneity in these manganites.
{"title":"A variational theory of zero field electronic specific heat of Anderson lattice model: An application to colossal magnetoresistive manganites (Re1-xAxMnO3)","authors":"S. Panwar, I. Singh","doi":"10.1063/5.0060890","DOIUrl":"https://doi.org/10.1063/5.0060890","url":null,"abstract":"Using a simple variational method, we have studied the zero field electronic specific heat (Cv) as a function of temperature of Anderson lattice model used for rare earth manganites doped with alkaline earths namely ( where Re=La, Pr, Nd etc., and A= Ca, Sr, Ba etc.) which exhibit colossal magnetoresistance (CMR), metalinsulator transition & many other poorly understood phenomena . We have already used this variational method to study the zero field electronic & magnetic properties like electrical resistivity & magnetic susceptibility of doped CMR manganites. We have taken two band (l-b) Anderson lattice model Hamiltonian for manganites in the strong electronlattice JahnTeller (JT) coupling regime to study the temperature dependence of C vin these compounds. We have also observed the role of the model parameters e.g. local Coulomb repulsionU, strong ferromagnetic Hund’s Rule coupling JH between eg& t2g spins & hybridization Vk between l– polarons& d electrons of the same spins on Cv&linear coefficient Cv/ T. We find from our results that as the temperature is lowered below a critical temperature Tc (˷100 K), there is an anomaly (sharp peak) in both Cv(T) &Cv/T beyond which it falls off for particular values of JH, V & doping values x resembling with the key feature of many CMR compounds La0.815 Sr0.185 MnO3 & Pr0.6-xBixSr0.4MnO3(x= 0.00.15). The observed low temperature peak in Cv(T) becomes progressively broader & shifts to higher temperature region on increasing Vk or JH or doping x value. The specific heat anomaly near Tc ˷ 100 K is related to magnetic ordering due to the paramagneticferromagnetic transitions and magnetic inhomogeneity in these manganites.","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"13 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81342002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tribo-performance behavior of lubricants plays an instrumental role in conserving the energy while enhancing the machine life. Rheological properties of lubricants such as shear stress, shear rate, viscosity, viscoelastic behavior etc influence the tribo-performance behavior to a great extent. Modern Chemistry lays emphasis on the synthesis of nano additives that help enhance the rheological and tribological properties of lubricants ultimately leading to the conservation of valuable energy. In the present study the Rheological and Tribological performance behavior of hexagonal boron nitride (Hex-BN) nanofluids is presented. In order to study the effect of Hex-BN nano-particles on the rheological properties of lubricants two commercially available blended synthetic engine oils of same grades were selected. They were blended with 0.1 and 0.2% weight by weight of well dispersed Hex-BNnanoparticles. Standard test procedures were used to determine physicochemical properties and tribo-performance behavior of oils respectively. The study reveals that tested Hex-BN nanofluids behaved as non-Newtonian lubricants with shear thinning behavior at all tested temperatures and exhibited viscoelastic behavior at small shear rates. As a result of this anti-wear property showed an enhancement up to 12% for 0.2% Hex-BN indicating fair improvement in anti-wear properties of Hex-BN nanofluid. However, a marginal reduction in friction to the tune of 7% observed for the 0.2 wt% of Hex-BN nano-particles in the tested lubricants indicates that finished products have little scope to improve anti-friction properties under the influence of existing additives.
{"title":"Investigation of lubrication performance and flow behavior of nano-fluids","authors":"P. Thapliyal, Ajay Kumar, G. D. Thakre","doi":"10.1063/5.0061463","DOIUrl":"https://doi.org/10.1063/5.0061463","url":null,"abstract":"Tribo-performance behavior of lubricants plays an instrumental role in conserving the energy while enhancing the machine life. Rheological properties of lubricants such as shear stress, shear rate, viscosity, viscoelastic behavior etc influence the tribo-performance behavior to a great extent. Modern Chemistry lays emphasis on the synthesis of nano additives that help enhance the rheological and tribological properties of lubricants ultimately leading to the conservation of valuable energy. In the present study the Rheological and Tribological performance behavior of hexagonal boron nitride (Hex-BN) nanofluids is presented. In order to study the effect of Hex-BN nano-particles on the rheological properties of lubricants two commercially available blended synthetic engine oils of same grades were selected. They were blended with 0.1 and 0.2% weight by weight of well dispersed Hex-BNnanoparticles. Standard test procedures were used to determine physicochemical properties and tribo-performance behavior of oils respectively. The study reveals that tested Hex-BN nanofluids behaved as non-Newtonian lubricants with shear thinning behavior at all tested temperatures and exhibited viscoelastic behavior at small shear rates. As a result of this anti-wear property showed an enhancement up to 12% for 0.2% Hex-BN indicating fair improvement in anti-wear properties of Hex-BN nanofluid. However, a marginal reduction in friction to the tune of 7% observed for the 0.2 wt% of Hex-BN nano-particles in the tested lubricants indicates that finished products have little scope to improve anti-friction properties under the influence of existing additives.","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81559382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
R. A. Bhoyar, A. Nayak, P. K. Tawalare, S. Wankhede, S. Moharil
{"title":"Synthesis and luminescence of Li3ScCl6:Ce","authors":"R. A. Bhoyar, A. Nayak, P. K. Tawalare, S. Wankhede, S. Moharil","doi":"10.1063/5.0060843","DOIUrl":"https://doi.org/10.1063/5.0060843","url":null,"abstract":"","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90805584","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this paper, we have studied the hybrid halide perovskite CH3CH2NH3PbI3 as the perspective material for the fabrication of photovoltaic (PV) devices. This material is expected to possess high power conversion efficiency (PCE) with low device fabrication cost. We have explored basic physical properties such as energy band gap, density of state, optical coefficients like dielectric function and absorption coefficient by FP-LAPW as employed in density functional theory (DFT). The present study shows that CH3CH2NH3PbI3 possesses a direct band gap of 1.459 eV and bears high absorption coefficient of the order of 105per cm for visible light.
{"title":"The electronic and optical properties of CH3CH2NH3PbI3: A first principles study","authors":"T. Joshi, Giriraj Sharma, A. Verma, S. Gupta","doi":"10.1063/5.0061539","DOIUrl":"https://doi.org/10.1063/5.0061539","url":null,"abstract":"In this paper, we have studied the hybrid halide perovskite CH3CH2NH3PbI3 as the perspective material for the fabrication of photovoltaic (PV) devices. This material is expected to possess high power conversion efficiency (PCE) with low device fabrication cost. We have explored basic physical properties such as energy band gap, density of state, optical coefficients like dielectric function and absorption coefficient by FP-LAPW as employed in density functional theory (DFT). The present study shows that CH3CH2NH3PbI3 possesses a direct band gap of 1.459 eV and bears high absorption coefficient of the order of 105per cm for visible light.","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"36 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86509358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Here we report the fabrication of highly transparent graphene oxide (GO) reinforced TiO2 nanocomposite thin film and demonstrate that it enhances the power conversion efficiency of dye-sensitized solar cells (DSSC) when used as photoanode. TiO2-GO nanocomposite thin films with varying GO concentrations are deposited on top of the fluorine doped tin oxide (FTO) coated glass substrate by easy, cost-effective sol-gel spin coating technique. Microstructural and optical characterizations confirm the formation of highly transparent, uniform nanocomposite thin films comprised of rutile phase of TiO2 nanoparticles. The estimated optical band gap of pristine TiO2 is ~ 3.34 eV which decreased slightly with GO concentrations. The nanocomposite films are used as photoanode of a basic DSSC structure which has been fabricated using commercially available N3 dye as photosensitizers, conventional iodine solution (I-/I3+) as electrolyte and FTOcoated glass as counter electrode. The current-voltage characteristics of DSSC measured under illumination of 1 SUN AM1.5 solar spectrum show significant enhancement of short circuit current density (Jsc) and power conversion efficiency (η) with GO concentration in TiO2 photoanode which is attributed to the less recombination of photogenerated charge carriers and better transport facilitated by conduction GO network.
本文报道了高透明氧化石墨烯(GO)增强TiO2纳米复合薄膜的制备，并证明了当用作光阳极时，它可以提高染料敏化太阳能电池(DSSC)的功率转换效率。采用简单、经济的溶胶-凝胶自旋镀膜技术，将不同氧化石墨烯浓度的TiO2-GO纳米复合薄膜沉积在氟掺杂氧化锡(FTO)镀膜玻璃基板上。显微结构和光学表征证实了由金红石相组成的高透明、均匀的纳米复合薄膜的形成。原始TiO2的光学带隙估计为~ 3.34 eV，随氧化石墨烯浓度的增加略有减小。采用N3染料作为光敏剂，常规碘溶液(I-/I3+)作为电解液，fto镀膜玻璃作为对电极制备了基本DSSC结构的光阳极。在1 SUN AM1.5太阳光谱下测量的DSSC的电流电压特性表明，TiO2光阳极中氧化石墨烯的浓度显著提高了短路电流密度(Jsc)和功率转换效率(η)，这是由于光生载流子的重组减少，氧化石墨烯的传导网络促进了DSSC的传输。
{"title":"Highly transparent graphene oxide composited TiO2 thin film as efficient photoanode for dye-sensitized solar cells","authors":"Mrinmoy Chakraborty, Rounak Banerjee, R. Gayen","doi":"10.1063/5.0060892","DOIUrl":"https://doi.org/10.1063/5.0060892","url":null,"abstract":"Here we report the fabrication of highly transparent graphene oxide (GO) reinforced TiO2 nanocomposite thin film and demonstrate that it enhances the power conversion efficiency of dye-sensitized solar cells (DSSC) when used as photoanode. TiO2-GO nanocomposite thin films with varying GO concentrations are deposited on top of the fluorine doped tin oxide (FTO) coated glass substrate by easy, cost-effective sol-gel spin coating technique. Microstructural and optical characterizations confirm the formation of highly transparent, uniform nanocomposite thin films comprised of rutile phase of TiO2 nanoparticles. The estimated optical band gap of pristine TiO2 is ~ 3.34 eV which decreased slightly with GO concentrations. The nanocomposite films are used as photoanode of a basic DSSC structure which has been fabricated using commercially available N3 dye as photosensitizers, conventional iodine solution (I-/I3+) as electrolyte and FTOcoated glass as counter electrode. The current-voltage characteristics of DSSC measured under illumination of 1 SUN AM1.5 solar spectrum show significant enhancement of short circuit current density (Jsc) and power conversion efficiency (η) with GO concentration in TiO2 photoanode which is attributed to the less recombination of photogenerated charge carriers and better transport facilitated by conduction GO network.","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"53 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86771286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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