Computational Condensed Matter最新文献

{"title":"Analysis of anderson- Grüneisen parameter for alkali halides at high pressure and temperature","authors":"Kanhaiyalal,&nbsp;S. Digpratap","doi":"10.1016/j.cocom.2025.e01068","DOIUrl":"10.1016/j.cocom.2025.e01068","url":null,"abstract":"<div><div>The pressure dependence different parameters such as the volume, isothermal bulk modulus, thermal expansivity. Anderson-Grüneisenhave been studied for LiI, NaI, KI,RbI and CsI are investigated using an isothermal equation of state and calculated values are compared with available experimental data.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01068"},"PeriodicalIF":2.6,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297644","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}

{"title":"A new strategy of getting accurate refractive index dispersion curves using first-principles sum-over-states method jointed by density functional perturbation theory","authors":"Yu-Ju Hsieh,&nbsp;Ming-Hsien Lee","doi":"10.1016/j.cocom.2025.e01066","DOIUrl":"10.1016/j.cocom.2025.e01066","url":null,"abstract":"<div><div>This paper introduces a new method for obtaining refractive index dispersion curves: the joint method of density-functional perturbation theory and first-principles sum-over-states. Since the refractive index dispersion curves and birefringence of LiNbO₃, LiGaSe₂ and BPO₄ materials computed by the first-principles sum-over-states method have some deviations, the density-functional perturbation theory method is introduced. However, the density-functional perturbation theory method can only obtain the refractive index at the optical frequency, so the first-principles sum-over-states combined with the density-functional perturbation theory method can be used to obtain the accurate refractive index dispersion curve. To further investigate the effect of parameters on the refractive index and birefringence, the different functionals, different cutoff energies, different <em>k</em>-points, ionic contributions and fixed symmetry are introduced for LiNbO₃, LiGaSe₂ and BPO₄ materials. The results show that symmetry-fixed nature of sum-over-states method is an important factor affecting the accuracy of the calculated birefringence.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01066"},"PeriodicalIF":2.6,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144139768","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}

{"title":"The effect of divalent ions on chemical stability of eco-friendly α, γ and δ phases of CsSnI3","authors":"Zafari Umar ,&nbsp;Oleg Khyzhun ,&nbsp;Dilshod D. Nematov ,&nbsp;Amondulloi S. Burhonzoda ,&nbsp;Mikhail G. Brik ,&nbsp;Tomoyuki Yamamoto ,&nbsp;Michał Piasecki","doi":"10.1016/j.cocom.2025.e01062","DOIUrl":"10.1016/j.cocom.2025.e01062","url":null,"abstract":"<div><div>In the present work, based on possibilities of density functional theory (DFT), we explore the ability of cesium tin triiodide to incorporate divalent ions (Mg²⁺, Ni²⁺, Zn²⁺, and Cd²⁺) depending on its crystal structure (α, γ and δ phases of CsSnI₃). The total energies of the α-, γ- and δ-phases of CsSnI₃ alloyed with the divalent ions are found to be negative and they do not alter essentially when changing the phase. Calculations of the formation energies indicate that, independently of the phase of CsSnI₃, the incorporating abilities for the divalent ions increases in the sequence Cd²⁺ → Mg²⁺ → Zn²⁺ → Ni²⁺. Therefore, incorporation of such divalent ions favors the chemical stability of CsSnI₃ that is very important for practical application of this iodide. We do not detect significant changes in densities of states in the sequence α-CsSnI₃ → γ-CsSnI₃ → δ-CsSnI₃. The Cs–I and Sn–I bonds in the α-, γ- and δ-phases of CsSnI₃ reveal the existence of a substantial covalent component (in addition to ionic component) of the chemical bonding. The electronic states associated with the embedding divalent ions form additional electronic states in the energy band gaps of the α-, γ- and δ-phases of CsSnI₃. Such additional electronic states associated with the divalent ions cause essential decreasing the E_g values of the α-, γ- and δ-phases of CsSnI₃ leading in some cases to metallic behavior of α-CsSnI₃. The tendency of increasing chemical stability of the α-, γ- and δ-phases of CsSnI₃ with decreasing ionic radius of the embedding divalent ion has been detected.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01062"},"PeriodicalIF":2.6,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167662","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}

{"title":"Exploring the energy storage potential of novel Molybdenum carbide heterostructures for metal-ion batteries","authors":"S. Koley,&nbsp;Chrislene Lionel","doi":"10.1016/j.cocom.2025.e01053","DOIUrl":"10.1016/j.cocom.2025.e01053","url":null,"abstract":"<div><div>The development of advanced anode materials is crucial for next-generation energy storage technologies. The current study conceptualizes a novel energy storage material suitable for Li, Na and K ion battery. To explore a novel energy storage material derived from extensively studied MXenes, a potential heterostructure with an oxide is proposed to optimize the associated properties. A comprehensive investigation into the structural stability and electronic properties of this MoC–MoO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> heterostructure using density functional theory calculations reveals excellent dynamic stability, along with strong metallic characteristics. The heterostructure facilitates metal ion adsorption at interfacial sites, driven by van der Waals interactions. Binding energies of 2.1, 2.6, and 2.8 eV for Li, Na, and K ions, respectively, indicate strong ion interactions. The performance of the heterostructure as an anode material was systematically analyzed using the parameters such as theoretical capacity, open circuit voltage, and metallicity. Results show that Li ion intercalation demonstrates high theoretical capacity (500 mAh/g), high open circuit voltage (0.6 V) and low binding energy, highlighting its suitability for high-performance energy storage. Comparisons with current commercial anode materials this study demonstrate its superior performance, positioning the MoC–MoO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> heterostructure as a promising candidate for high-performance battery technologies.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01053"},"PeriodicalIF":2.6,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068575","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}

{"title":"A DFT analysis on the electronic, mechanical, optical, elastic, structural and thermodynamic properties of XBiNb2O7 (X = Cs, Rb, K and Na) for photovoltaic applications","authors":"Nawishta Jabeen ,&nbsp;Sumaira Zafar ,&nbsp;Ahmad Hussain ,&nbsp;Abdulqadir Ismail Abdullah ,&nbsp;Abhinav Kumar ,&nbsp;Hasnat Ahmad","doi":"10.1016/j.cocom.2025.e01063","DOIUrl":"10.1016/j.cocom.2025.e01063","url":null,"abstract":"<div><div>The electronic, mechanical, optical, elastic, structural and thermodynamic properties of the orthorhombic crystal structure from Dion Jacobson (DJ) family member XBiNb₂O₇ with Pmc2_1 space group have been determined by using density functional theory (DFT) calculations. These calculations have been performed by using the CASTEP tool, with implementations of the norm-conserving pseudo-potential plane wave and PBE-GGA approaches. And also, density function perturbation theory (DFPT) is implemented to determine thermodynamic properties. The thermodynamic properties of XBiNb₂O₇ (X = Cs, Rb, K, and Na) compounds have demonstrated different zero-point energy in the range of 1.1732–1.3737 eV and also the specific heat capacity (C_v) is calculated, which rises with temperature variation and approaches to Dulong–Petit limit at 500. The obtained results indicate that these compounds are semiconductor with indirect bandgaps for CsBiNb₂O₇, RbBiNb₂O₇, KBiNb₂O₇, and NaBiNb₂O₇ in the energy range of 2.266–2.277 eV. These compounds are ideal for optoelectric devices. For photovoltaic applications, the optical properties of the compounds including optical conductivity, loss function, reflectivity, extinction coefficients, dielectric function (real and imaginary), refractive index and absorption are also examined. Dielectric function (5-10), optical conductivity (6 fs⁻¹), absorption coefficients (10⁵ cm⁻¹) and refractive index (5–6) are all high in visible and near UV region. The values of Pugh's ratio for the compounds are B/G &gt; 1.75, indicating that elastic or mechanical properties exhibit ductile behavior and mechanical stability. The Born stability criteria is used to examine the compound's mechanical stability, which confirm their suitability for flexible electronic applications. This manuscript offers valuable information about the strategy and progress of materials suitable for future photovoltaic applications.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01063"},"PeriodicalIF":2.6,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068069","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}

{"title":"A DFT study on the substitutional effects on Hf3N2X2 (X = O, S) MXene monolayers","authors":"W.O. Santos ,&nbsp;G.P. Santos Filho ,&nbsp;N.F. Frazão ,&nbsp;E. Moreira ,&nbsp;D.L. Azevedo","doi":"10.1016/j.cocom.2025.e01051","DOIUrl":"10.1016/j.cocom.2025.e01051","url":null,"abstract":"<div><div>MXenes monolayers have shown potential applications ranging from electronic devices to water purification and antibacterial coatings since 2D MXene possesses properties significantly different from those of bulk materials. Here, density functional theory is used to investigate the structural, electronic, optical, and thermodynamic properties, as well as the energy stability and phonon dispersion of two-dimensional Hf₃N₂O₂ and Hf₃N₂S₂ MXene monolayers. The results show that, using approaches based on the generalized gradient (GGA) and the hybrid exchange–correlation functional HSE06 for the optimized structure with the minimum energy, an indirect bandgap of 0.387<!--> <!-->eV and 0.577<!--> <!-->eV was obtained within the GGA-PBE and HSE06 level of calculation, respectively, for the Hf₃N₂O₂ MXenes monolayers, while the Hf₃N₂S₂ structure is electronically a conductor. Replacing the sulfur (S) atom with oxygen (O) in the hafnium monolayer produced a clear electronic transition effect, turning it from a semiconductor to a conductor. The optical absorption was shown to be sensitive to the plane of polarization of the incident light, mainly in the UV–Vis regions. In addition, from the thermodynamic potential calculations within the PBE functional, the free energy (<em>F</em>) indicates that these MXene monolayers could be potentially synthesized spontaneously at low temperatures. All properties calculated in this study demonstrate that Hf₃N₂X₂ (X = O, S) MXenes monolayers have potential applications in optoelectronic and thermal devices at the nanoscopic scale.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01051"},"PeriodicalIF":2.6,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143935844","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}

{"title":"Improving optoelectronic and solar cell performance from 24 to 31 % via switching from 0D Cs3Bi2I9 to 2D Cs3Bi2I6Cl3 perovskite for energy harvesting application","authors":"Shahid Mehmood ,&nbsp;Zahid Ali ,&nbsp;Shah Rukh Khan ,&nbsp;Meznah M. Alanazi ,&nbsp;Shaimaa A. M. Abdelmohsen ,&nbsp;Mohamed Mousa","doi":"10.1016/j.cocom.2025.e01059","DOIUrl":"10.1016/j.cocom.2025.e01059","url":null,"abstract":"<div><div>Perovskites based on cesium still have lower PCE than conventional perovskites. An in-depth investigation of the material and its application is necessary to learn about the physical characteristics, efficiency, and operating principle of Cs base perovskites. The toxicity of lead is another reason how lead-free perovskites are made, despite their cheap cost and incredible efficiency. Therefore WIEN2k and SCAPS-1D tools are employed to explore the structural, opto-electronic properties and solar cell efficiency of the 2D Cs₃Bi₂I₆Cl₃ perovskite. The structural properties are aligned with experiments. The electronic properties reveals its direct bandgap (2.05 eV) semiconducting nature. The optical properties reveals its visible light active nature make them ideal for optoelectronic and Solar Cell applications. The optimized FTO/PBCM-SnS₂/Cs₃Bi₂I₆Cl₃/NiO/Ni devise achieves the J_sc of 23.35 mA/cm², V_oc values of 1.47 V, FF of 90.97 and PCE of 31.27 % respectively. The outcomes revels that the 2D Cs₃Bi₂I₆Cl₃ (η = 31.27 %) is more efficient then the 0D Cs₃Bi₂I₉ (η = 24.91 %) which facilitates the future studies aimed to develop fully inorganic lead free perovskite halides to improve photovoltaic performance.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01059"},"PeriodicalIF":2.6,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143941996","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}

{"title":"Analysis of thermoelastic properties of alkali halide crystals at high temperatures","authors":"Jolly Sharma,&nbsp;B.S. Sharma","doi":"10.1016/j.cocom.2025.e01055","DOIUrl":"10.1016/j.cocom.2025.e01055","url":null,"abstract":"<div><div>We have computed thermal expansivity, volume expansion, interatomic distances and isothermal bulk modulus of sixteen alkali halides with rock-salt structure at high temperatures up to their melting points. We have used the Anderson model based on the Anderson-Grüneisen parameter which involves volume thermal expansion coefficient, isothermal bulk modulus, and its temperature derivative. The Anderson model is based on the assumption that the Anderson-Grüneisen parameter remains constant with the change in temperature. The results obtained using this model have been found to present close agreement with the available experimental data. We have also considered the model due to Liu which takes into account the temperature dependence of the Anderson-Grüneisen parameter via its volume dependence. The results obtained from the two models have been found to compare well with each other and also with the available experimental data. The results could be useful for experimental studies.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01055"},"PeriodicalIF":2.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143932215","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}

{"title":"Phase stability and physical properties of alkali metals-based cerium nitrates A2CeN2 (A = Li, Na, K): A first principle study for optoelectronic and photovoltaic applications","authors":"Mayeen Uddin Khandaker ,&nbsp;M.M. Uddin ,&nbsp;Hamid Osman ,&nbsp;M.I. Sayyed ,&nbsp;Mohamed Y. Hanfi","doi":"10.1016/j.cocom.2025.e01061","DOIUrl":"10.1016/j.cocom.2025.e01061","url":null,"abstract":"<div><div>This research provides a comprehensive density functional theory (DFT) analysis of alkali metal-based cerium nitrates A₂CeN₂ (A = Li, Na, K) with respect to their electronic structure, particularly their band gaps and exceptional optical properties, for optoelectronics and photovoltaic applications. To investigate the effects of varying alkali metals (from lithium to sodium and potassium) on the compound's properties, it is crucial to examine their structure, stability, electronic configuration, optical, mechanical, and thermal characteristics. The investigation demonstrates that all of the analyzed compounds are mechanically, dynamically, and thermally stable and thus all are viable for practical applications. The obtained band gap values with hybrid functional are 1.355 eV for Li₂CeN₂, 1.481 eV for Na₂CeN₂, and 1.138 eV for K₂CeN₂, which are in the visible range, rendering these materials suitable for various optoelectronic and photovoltaic applications. High absorption coefficients at approximately 10⁶ cm⁻¹ with low optical reflectivity has been demonstrated in all compounds, ensuring that they are excellent absorbers for photovoltaic devices. Among the A₂CeN₂ (A = Li, Na, K) compounds, the band gap of Na₂CeN₂ is within the visible spectrum and close to the Shockley-Queisser limit of 1.43 eV for optimal solar cell efficiency. In addition, Li₂CeN₂, with its suitable band gap, notable high unit cell density, elevated absorption coefficient, and significant reflectivity, emerges as a promising candidate for solar cell as well as electromagnetic radiation shielding applications. Conversely, K₂CeN₂ displayed relatively lower hardness, melting point, and thermal conductivity. Notably, all compounds exhibit anisotropic behavior, with the variations in bonding nature significantly influencing their overall properties. The results demonstrate that the alkali metal-based compounds studied exhibit outstanding optoelectronic performance. Their band gaps, which are near the Shockley-Queisser limit for peak efficiency, making them particularly promising for photovoltaic applications. These findings highlight their potential for use in next-generation optoelectronic devices.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01061"},"PeriodicalIF":2.6,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068574","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}

{"title":"First-principles investigation of non-toxic Sr2MAlO6 (M = Ta, Nb) perovskites: Electronic, optical, and magnetic characteristics","authors":"Saeed Ullah ,&nbsp;Abdul Basit ,&nbsp;Aurangzeb Khan ,&nbsp;Rajwali Khan ,&nbsp;Nasir Rahman ,&nbsp;Javed Iqbal ,&nbsp;Mudasser Husain ,&nbsp;Quaid Zaman ,&nbsp;Hania Faheem ,&nbsp;Sattam Al Otaibi ,&nbsp;Khaled Althubeiti","doi":"10.1016/j.cocom.2025.e01060","DOIUrl":"10.1016/j.cocom.2025.e01060","url":null,"abstract":"<div><div>Non-toxic double perovskites Sr₂MAlO₆ (M = Ta, Nb) are computationally investigated though density functional theory implemented using Wien2k package. Structural optimization was carried out employing the generalized gradient approximation (GGA) of Perdew- Burke- Ernzerhof (PBE) while the investigation of electronic properties was carried out with the modified Becke-Johnson mBJ potential for enhanced accuracy. Their elastic stability was validated by the evaluation of the calculated elastic constants, formation energy, and tolerance factor. Both materials are promising for ultraviolet UV optoelectronic devices, as the electronic band structure investigation revealed that Sr₂TaAlO₆ is a wide-bandgap insulator (4.82 eV) while Sr₂NbAlO₆ displays semiconducting behavior (3.65 eV). Optical studies reveal strong photon absorption and pronounced optical conductivity in the UV region with tailored energy thresholds and dielectric constants suitable for advanced optoelectronic devices. Using Monte Carlo simulations, we examined the critical responses of Sr₂NbAlO₆ and Sr₂TaAlO₆ under various magnetic fields in order to study their magnetic characteristics. The critical temperatures for Sr₂NbAlO₆ and Sr₂TaAlO₆ were determined to be 410 K and 330 K, respectively. Because of the heightened paramagnetic interactions from Nb 4d orbitals, Sr₂NbAlO₆ showed greater sensitivity to applied magnetic fields. Sharp thermodynamic changes were seen near Tc, where the application of magnetic fields greatly increased entropy variations and system responsiveness, according to specific heat capacity and susceptibility tests. Our findings highlight the viability of Sr₂MAlO₆ compounds in applications like UV detectors, anti-reflective coatings, and transparent optoelectronic technologies, paving the way for sustainable and eco-friendly materials in next-generation devices. These compounds' broad bandgaps, optical transparency, and stability in the presence of magnetic and thermal forces make them viable. They are also advantageous for green technology due to their non-toxic nature. Their phase stability at high temperatures and calculated optical absorption in the UV spectrum support their usefulness in UV optoelectronics, sensors, and spintronic devices.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01060"},"PeriodicalIF":2.6,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934607","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}