Journal of Physics and Chemistry of Solids最新文献

{"title":"Numerical modeling and performance analysis of rubidium-based double perovskite solar cells: A comprehensive study","authors":"Ubaid Ur Rehman ,&nbsp;Kashaf Ul Sahar ,&nbsp;Qian Wang ,&nbsp;Md Ferdous Rahman ,&nbsp;Ejaz Hussain ,&nbsp;Chun-Ming Wang","doi":"10.1016/j.jpcs.2025.112797","DOIUrl":"10.1016/j.jpcs.2025.112797","url":null,"abstract":"<div><div>This study investigates the performance optimization of rubidium based lead-free perovskite solar cells (PSCs). <span><math><mi>S</mi><mi>o</mi><mi>l</mi><mi>a</mi><mi>r</mi><mspace></mspace><mi>C</mi><mi>e</mi><mi>l</mi><mi>l</mi><mspace></mspace><mi>C</mi><mi>a</mi><mi>p</mi><mi>a</mi><mi>c</mi><mi>i</mi><mi>t</mi><mi>a</mi><mi>n</mi><mi>c</mi><mi>e</mi><mspace></mspace><mi>S</mi><mi>i</mi><mi>m</mi><mi>u</mi><mi>l</mi><mi>a</mi><mi>t</mi><mi>o</mi><mi>r</mi><mspace></mspace><mfenced><mrow><mi>S</mi><mi>C</mi><mi>A</mi><mi>P</mi><mi>S</mi></mrow></mfenced><mo>−</mo><mn>1</mn><mi>D</mi></math></span> modeling was employed to optimize the performance of a Rb₂LiGaI₆ based double PSC with tungsten disulfide (WS₂) as the electron transport layer (ETL) and Cu₂O, CuI, CuSCN, CuO, MoO₃, Spiro-OMeTAD and PEDOT:PSS as hole transport layers (HTLs). The optimized solar cell architecture is configured as FTO/WS₂/Rb₂LiGaI₆/CuI/Au. The key parameters i.e. absorber layer (Rb₂LiGaI₆) thickness, acceptor doping density (N_a), interface defect densities (IDL) at WS₂/Rb₂LiGaI₆ and Rb₂LiGaI₆/CuI junctions, as well as the series resistance (R_s), shunt resistance (R_sh) and operating temperature, were thoroughly optimized. The optimization spectra of current-voltage (I–V) and quantum efficiency (QE) revealed substantial improvements in open circuit voltage (V_oc), short circuit current density (J_sc), fill factor (FF), and power conversion efficiency (PCE). The remarkable improvement in PCE of the optimized device from 24.59 % to 28.71 % is attributed to incorporating the unique double perovskite structure of Rb₂LiGaI₆, which provides high lattice stability and tunable electronic properties. This work highlights the potential of Rb₂LiGaI₆ perovskite for advancing environmentally sustainable solar energy applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112797"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143874431","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study of the structure and ferroelectric properties of 1 % barium doped KNN-based ceramics using combined analytical methods","authors":"Tatiana S. Ilina ,&nbsp;Elena A. Skryleva ,&nbsp;Dmitry A. Kiselev ,&nbsp;Ekaterina V. Barabanova ,&nbsp;Andrei A. Makulin ,&nbsp;Marina I. Voronova ,&nbsp;Maxim V. Chichkov ,&nbsp;Alexey Yu. Ermakov ,&nbsp;Boris R. Senatulin ,&nbsp;Yury N. Parkhomenko ,&nbsp;Evgeniya L. Buryanskaya ,&nbsp;Anatoly V. Pavlenko","doi":"10.1016/j.jpcs.2025.112802","DOIUrl":"10.1016/j.jpcs.2025.112802","url":null,"abstract":"<div><div>The problem of assessing the quality of non-toxic, environmentally safe pure KNN-based ceramics is of vital importance for potential applications in various fields including actuators, piezoelectric gages, and ferroelectric memory (FeRAM). In this work, we carried out a combined study of the chemical composition (XPS), structure (XRD), and ferroelectric properties (PFM) aiming at understanding the effect of doping with 1 mol.% Ba and solid-state synthesis conditions on the quality of KNN-based ceramics. The microstructural images and element maps have been obtained using SEM and EDX. The dielectric permittivity of the material has been studied as a function of temperature. The composition of the secondary P4/mbm K₆Nb₁₀_.₈O₃₀ phase has been identified. We show that Ba doping during two-stage solid-state synthesis reduces the secondary phase content from 15 % to 8 % and improves the ferroelectric properties of the material. However, it was found that the synthesis method has a predominant effect on the secondary phase content. The use of two-stage synthesis instead of one-stage synthesis reduces the secondary phase content from 30 % to 8 %.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112802"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143874433","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles investigation of BX3H9 (X = Ca, Sc, Ti) hydrides: Structural, electronic, phonon, and hydrogen storage properties","authors":"Hafiz Hamid Raza ,&nbsp;Maha Naeem ,&nbsp;Hafiz Saad Ali ,&nbsp;Amna Parveen ,&nbsp;Abdullah M. Al-Enizi","doi":"10.1016/j.jpcs.2025.112800","DOIUrl":"10.1016/j.jpcs.2025.112800","url":null,"abstract":"<div><div>Hydrogen storage materials are essential for sustainable energy applications. This study investigates the structural, electronic, elastic, phonon, and hydrogen storage properties of BX₃H₉ (X = Ca, Sc, Ti) using first-principles calculations based on density functional theory (DFT). Phonon dispersion confirms the dynamical stability of these hydrides. The gravimetric hydrogen storage capacity (Cwt%) exceeds 5.5 wt% for all compounds, meeting U.S. Department of Energy (DOE) standards. Among them, BTi₃H₉ exhibits the lowest desorption temperature, making it highly promising for hydrogen release under mild conditions. Elastic properties validate the mechanical stability, while electronic structure analysis provides insight into bonding characteristics. These results highlight the potential of BX₃H₉ compounds as effective hydrogen storage materials. Our findings contribute to the advancement of lightweight metal hydrides, offering a foundation for the development of next-generation hydrogen storage technologies.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112800"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143864216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermoelectric performance of line-centered honeycomb structures under the influence of chemical potential, strain, and spin-orbit coupling","authors":"Mahtab Jamshidipour ,&nbsp;Mona Abdi ,&nbsp;Bandar Astinchap","doi":"10.1016/j.jpcs.2025.112795","DOIUrl":"10.1016/j.jpcs.2025.112795","url":null,"abstract":"<div><div>This paper investigates the thermoelectric properties of the line-centered honeycomb (LCH) structure, focusing on four key transport coefficients: electrical conductivity, thermal conductivity, Seebeck coefficient, and figure of merit. The results reveal that thermal conductivity increases with chemical potential until peaking, whereas electrical conductivity reaches its maximum at zero chemical potential and decreases with further changes in chemical potential. The influence of spin-orbit coupling (SOC), tensile and compressive strain, and a transverse magnetic field on the thermoelectric properties is also thoroughly examined, yielding notable findings. The two key factors influencing conductivity are SOC and strain in the form of compression. The application of these parameters enhances both electrical and thermal conductivity. Additionally, density of states (DOS) diagrams under specific conditions are analyzed to provide deeper insights into the electronic behavior of the LCH structure. The study uses the tight-binding method and Green's function framework, offering a robust approach to understanding the material's thermoelectric response.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112795"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855415","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Non-centrosymmetric Y3FeGaSe7 and Y3Mn0·5SiSe7 with extremely low thermal conductivities","authors":"Sweta Yadav ,&nbsp;Sambit S.S. Rout ,&nbsp;Omair Shahid ,&nbsp;Gohil Singh Thakur ,&nbsp;Manish K. Niranjan ,&nbsp;Jai Prakash","doi":"10.1016/j.jpcs.2025.112792","DOIUrl":"10.1016/j.jpcs.2025.112792","url":null,"abstract":"<div><div>Two novel heterometallic selenides, Y₃FeGaSe₇ and Y₃Mn₀_·₅SiSe₇, have been successfully synthesized by high-temperature elemental reactions. The non-centrosymmetric structures of the selenides with the <em>P</em>6₃ space group were solved using the X-ray diffraction (single crystal) method. Although both compounds are isostructural, the Y₃FeGaSe₇ structure is stoichiometric, while the Y₃Mn₀_·₅SiSe₇ structure has a half-occupied Mn site, making it non-stoichiometric. Each structure has six independent crystallographic sites: one Y site, one Fe/Mn site, one Ga/Si site, and three Se sites. The YSe₆, Fe/MnSe₆, and Ga/SiSe₄ units are the primary motifs of title selenides that are connected to form three-dimensional (3<em>D</em>) frameworks. The Y₃FeGaSe₇ and Y₃Mn₀_·₅SiSe₇ are semiconductors that agree with the theoretical electronic structure studies. The experimental direct optical bandgap energies are 1.1(1) eV and 1.3(1) eV for the Fe and Mn-containing phases, respectively. The electrical resistivity (<em>ρ</em>) studies show an exponential decrease of <em>ρ</em> values at higher temperatures as expected for semiconducting samples. The Y₃FeGaSe₇ shows high positive values of the Seebeck coefficient with a maximum of 294.4 μVK⁻¹ at 773 K. Both selenides exhibit extremely low values of thermal conductivity at 773 K: ∼0.40 Wm⁻¹K⁻¹ (Y₃FeGaSe₇) and 0.43 Wm⁻¹K⁻¹ (Y₃Mn₀_·₅SiSe₇). The magnetic studies confirm a high spin divalent state of Mn in the Y₃Mn₀_·₅SiSe₇ phase. No long-range magnetic ordering was found down to 2 K from the magnetic susceptibility studies of the polycrystalline Y₃Mn₀_·₅SiSe₇. The <em>ab-initio</em> DFT calculations suggest that the strongest bonding exists between the Si/Ga and Se atoms as compared to transition metals and Se atoms in the title selenide structures.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112792"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Catalysts for the non-oxidative dehydrogenation of ethanol supported by WO3-based micro-mesoporous composites","authors":"S. Said,&nbsp;M. Riad","doi":"10.1016/j.jpcs.2025.112789","DOIUrl":"10.1016/j.jpcs.2025.112789","url":null,"abstract":"<div><div>Much work has been done on synthesizing materials that enhance the conversion and selectivity of catalysts in industries by combining the stability and acidity benefits of zeolites with those of mesoporous materials. As an alternative to conventional copper oxide-supported catalysts, this study describes the synthesis of novel WO₃-supported micro-mesoporous composites made of AlSBA-15 (Si/Al = 5) and various zeolites types, either HZSM-5 (MFI) or HY (FAU), using a simple deposition technique. These composites are effective catalysts for the non-oxidative dehydrogenation of ethanol to acetaldehyde. Several spectroscopic techniques were used to determine the impact of employing different zeolite types on the physicochemical characteristics of the produced micro-mesoporous composites. Additionally, their catalytic performances were evaluated when compared to the non-oxidative dehydrogenation of ethanol, utilizing a flow system to produce more valuable products. Several spectroscopic methods demonstrated that this simple synthesis approach successfully included the used zeolite-type seeds into the matrix bulk of the AlSBA-15(5). In contrast to their constituent components, the synthesized WO₃-supported micro-mesoporous catalysts exhibit finer dispersion, basicity, a newly formed peak in the XPS O1S spectra due to W–O–W bridging oxygens, and comparatively higher amounts of isolated tetrahedrally monomeric WO₄²⁻ (W<img>O) species to oligomeric ones. The type of zeolite used in the micro-mesoporous composite's synthesis has a significant impact on composites' catalytic performance. With a selectivity of around 96 %, the WO₃-supported micro-mesoporous composite catalyst using HZSM-5 as the zeolite component demonstrates exceptional selectivity for the non-oxidative dehydrogenation of ethanol only to acetaldehyde. On the other hand, with an ethanol conversion of about 85 % at 450 °C, the WO₃-supported micro-mesoporous composite catalyst used in the HY zeolite type exhibits the highest catalytic activity in terms of conversion. The catalyst's basicity, the presence of W–O–W bridges, and the comparatively higher amounts of isolated tetrahedral monomeric to oligomeric WO₄²⁻ species all had a significant impact on the ethanol conversion and product selectivities during the non-oxidative dehydrogenation of ethanol.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112789"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855413","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigating thickness dependent perpendicular magnetic properties of ultrathin TbFeCo alloy films","authors":"Ke Wang ,&nbsp;Guanmei Chen ,&nbsp;Baocheng Chen ,&nbsp;Zhihong Lu ,&nbsp;Rui Xiong","doi":"10.1016/j.jpcs.2025.112791","DOIUrl":"10.1016/j.jpcs.2025.112791","url":null,"abstract":"<div><div>Ultrathin ferrimagnetic rare-earth transition-metal alloy films with perpendicular anisotropy are of great importance in developing spintronic devices. In this work, we investigate thickness dependent perpendicular magnetic properties of ultrathin Tb-rich TbFeCo films. The magnetic configuration, indicated by the sign of extraordinary Hall effect loops, was observed to change from Tb-rich to FeCo-rich state when TbFeCo film thickness reduces down to 7 nm. The compensation temperature Tcomp is shown to rise with increasing film thickness ranged from 7 to 42 nm. Nevertheless, for the 63 nm TbFeCo film a dip in thermomagnetic curve is earlier formed before the Tcomp is reached, which is revealed to be the competition between the temperature dependence of magnetization and film crystallization. For TbFeCo films with varying thickness the compensation thickness and the effective magnetization are derived from the fitting to be ∼10.4 nm and ∼208 emu/cm³, respectively. Compared with TbFeCo films, for TbFeCo(7 nm)/Ta (1.5 nm)/TbFeCo(63∼7 nm) structure the compensation thickness is found to be shifted by the thickness of bottom layer while the effective saturation magnetization keeps almost the same. Additionally, a perpendicular exchange coupling energy density of σ = ∼0.01 erg/cm² is achieved in the TbFeCo(7 nm)/Ta (1.5 nm)/TbFeCo(14 nm) structure with two-step switching. Our results provide some useful information for designing ultrathin TbFeCo-based spintronic devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112791"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850264","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles investigation of structural, electronic, optical, and thermoelectric properties of Mn2+-Substituted NaAl11O17 phosphor compounds for advanced optoelectronic applications","authors":"Mehvish Fatima ,&nbsp;Sikander Azam ,&nbsp;Mahpara Ghazanfar ,&nbsp;Shagufta Rasool ,&nbsp;Qaiser Rafiq ,&nbsp;Abroo Aiman ,&nbsp;Imed Boukhris ,&nbsp;Norah Salem Alsaiari ,&nbsp;Azhar Qayyum","doi":"10.1016/j.jpcs.2025.112758","DOIUrl":"10.1016/j.jpcs.2025.112758","url":null,"abstract":"<div><div>The development of high-performance materials for optoelectronic and thermoelectric applications is a key area of contemporary research. This study presents a comprehensive first-principles investigation into the structural, mechanical, electronic, optical, and thermoelectric properties of pristine NaAl₁₁O₁₇ and its Mn²⁺-Substituted counterpart, [NaAl₁₁O₁₇]:Mn²⁺, utilizing density functional theory (DFT) within the GGA + U framework. Our findings reveal that Mn²⁺ doping significantly modifies the electronic structure of NaAl₁₁O₁₇, reducing its bandgap from 4.49 eV to 1.1 eV (spin-up) and 3.9 eV (spin-down). This substantial bandgap reduction enhances the material's optoelectronic properties, positioning [NaAl₁₁O₁₇]:Mn²⁺ as a promising candidate for light-emitting diodes (LEDs), photovoltaic devices, and display technologies.</div><div>The mechanical properties of the Substituted material demonstrate improved ductility and elastic stability, which are crucial for flexible device applications. Optical analyses, including dielectric function, absorption coefficient, refractive index, and reflectivity, indicate enhanced absorption in the visible range and stronger interaction with electromagnetic radiation upon doping. These changes are attributed to the introduction of localized Mn-derived states near the Fermi level, facilitating efficient electron excitation and radiative recombination processes.</div><div>Thermoelectric evaluations reveal notable improvements in the Seebeck coefficient, electrical conductivity, and a marked decrease in thermal conductivity for the Substituted compound. The synergistic effect of these parameters yields an enhanced figure of merit (ZT), increasing from 0.01 in pristine NaAl₁₁O₁₇ to 0.12 at elevated temperatures for [NaAl₁₁O₁₇]:Mn²⁺. This enhancement stems from increased phonon scattering due to Mn incorporation and the favorable electronic structure modifications. Furthermore, effective mass calculations highlight that Mn²⁺ doping slightly increases the electron and hole effective masses, promoting carrier localization and improving luminescence efficiency.</div><div>Overall, this work underscores the transformative potential of Mn²⁺ doping in tailoring the physical properties of NaAl₁₁O₁₇, making [NaAl₁₁O₁₇]:Mn²⁺ a compelling material for next-generation optoelectronic and thermoelectric applications. The insights derived from this study not only deepen the understanding of doping effects in complex oxides but also pave the way for designing eco-friendly and efficient energy conversion devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112758"},"PeriodicalIF":4.3,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143864215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In situ preparation of Mn-enriched biochar for catalytic degradation of ciprofloxacin via H2O2 activation","authors":"Huibin Niu ,&nbsp;Yingping Huang ,&nbsp;Meng Zhang ,&nbsp;Shichao Zhang ,&nbsp;Qintian Peng ,&nbsp;Ruiping Li ,&nbsp;Di Huang","doi":"10.1016/j.jpcs.2025.112788","DOIUrl":"10.1016/j.jpcs.2025.112788","url":null,"abstract":"<div><div>Phytoremediation is an effective strategy for removing heavy metals from contaminated soil; however, the subsequent disposal of metal-enriched plants remains a challenge. In this study, manganese-enriched biochar (MEB) was synthesized from Mn-enriched <em>iris</em> and employed as a catalyst to activate hydrogen peroxide (H₂O₂) for the degradation of ciprofloxacin (CIP). Comprehensive characterization using SEM, BET, FT-IR, Raman, XPS, and HRTEM confirmed the successful synthesis of MEB, exhibiting favorable surface properties and catalytic stability. Under optimal conditions, the degradation efficiency of CIP (5 mg/L) reached 66.8 % within 120 min (pH = 6.7), with an observed rate constant (<em>k</em>_<em>obs</em>) of 0.00895 min⁻¹, which was 4.2 times higher than that of Mn-doped biochar (MDB) prepared via an immersion technique. Scavenging experiments and electron paramagnetic resonance (EPR) analysis confirmed that •OH were the dominant reactive oxygen species responsible for CIP degradation. XPS analysis revealed that Mn active sites and sp²-hybridized carbon worked synergistically to enhance H₂O₂ activation, thereby facilitating efficient •OH generation. 8 intermediate products were identified via LC-MS, and potential degradation pathways of CIP were proposed. Furthermore, The MEB/H₂O₂ system exhibited strong anti-interference properties, sustaining high degradation efficiency despite variations in pH, common anions and the presence of humic acid, highlighting its excellent practical applicability. The superior catalytic performance, stability, recyclability, and low metal ion leaching of MEB highlight its significant potential for wastewater treatment applications involving H₂O₂ activation.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112788"},"PeriodicalIF":4.3,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848043","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"29 % efficiency of novel monolithic 2-terminal kesterite Cs2AgBiBr6/Ag2BeSnTe4 tandem solar cell","authors":"Oumaima Gouztal ,&nbsp;Rubayyi T. Alqahtani ,&nbsp;Younes Chrafih ,&nbsp;Abdelhamid Ajbar","doi":"10.1016/j.jpcs.2025.112774","DOIUrl":"10.1016/j.jpcs.2025.112774","url":null,"abstract":"<div><div>Ag₂BeSnTe₄ kesterite, an inorganic absorber material, holds significant promise for perovskite solar cells. Traditional approaches utilize intrinsic or mono-doped absorbers, limiting charge transport. This study innovates by introducing a multi-doped architecture, combining Cs₂AgBiBr₆ with n-doped Ag₂BeSnTe₄. Furthermore, we investigate the impact of varying ZnX conductive layers (X = O, S, Se, and Te) on the photovoltaic performance of this novel device structure. This study employs the SCAPS-1D framework to analyze and compare the performance of two tandem solar cells, both comprising (ITO/ZnTe/Cs₂AgBiBr₆/Mo/Au) top and bottom cells. The results demonstrate a significant enhancement in power conversion efficiency from 11.59 % in the homo-junction (top cell) to 29.70 % in the tandem configuration. This improvement is accompanied by a notable increase in fill factor (71.58 %–83.42 %) and open-circuit voltage (0.289 V–1.227 V). These findings underscore the substantial benefits of multi-doping of the absorber and the conductive layer in achieving significantly higher efficiency in tandem solar cell architectures.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112774"},"PeriodicalIF":4.3,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}