Journal of Physics and Chemistry of Solids最新文献

{"title":"High-yield green synthesis of carbon-nanohair/carbon quantum dots/activated carbon composite from agricultural or textile wastes for enhanced supercapacitor performance","authors":"Maha Sabry Elattar ,&nbsp;Mahmoud Mohamed Emara ,&nbsp;Ali El‐Dissouky Ali ,&nbsp;Abd El-Hady B. Kashyout","doi":"10.1016/j.jpcs.2025.112895","DOIUrl":"10.1016/j.jpcs.2025.112895","url":null,"abstract":"<div><div>A novel approach is demonstrated to fabricate decorated carbon nanohair/carbon quantum dots (CQDs)/activated carbon (ACs) composites from diverse waste sources via thermal activation, omitting the need for inert gas or nitrogen sources, enhancing sustainability, cost-efficiency, decreasing carbon footprint and gaining carbon credit which aligning with Sustainable Development Goals (SDGs). The synthesized composites undergo thermal and chemical treatment with potassium hydroxide, resulting in high yield and increasing both the porosity and surface area with values ranged from 1160 m²/g to 1620 m²/g. Notably, Jeans-carbon-composite (J_AC) demonstrates outstanding cell-specific capacitance of 988.8 F/g at 0.5 A/g and 0.9 V, with a capacitance retention increasing up to ∼ 260 % over 1200 cycle. Furthermore, at 1.2 V and 0.5 A/g, cell-specific capacitances for other wastes are: Wood-dust-carbon (W_AC) = 983.3 F/g, Olive-leaves-carbon (O_AC) = 750 F/g, Bagasse-carbon (B_AC) = 476.6 F/g, Peanut-shell-carbon (P_AC) = 220 F/g and Garlic-leaves-carbon (G_AC) = 163.3 F/g. G_AC has a negative capacitance-to-potential window relationship, characterized by a high cell-specific capacitance value of 6296 F/g at a low potential of 0.5 V, which declines to 780 F/g at 0.8 V and drops to 163.3 F/g at 1.2 V, demonstrating high energy and power densities simultaneously. The synthesized composites demonstrate compelling electrochemical performance, making them promising supercapacitor electrode materials, owing to their unique hierarchical porous structure.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112895"},"PeriodicalIF":4.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167088","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":"Enhancing electrochemical performance of PECVD-fabricated MWCNTs: Influence of electrolyte selection on electrochemical traits and device functionality","authors":"Nitin Kumar Gautam ,&nbsp;Nagih M. Shaalan ,&nbsp;Saurabh Dalela ,&nbsp;P.A. Alvi ,&nbsp;Faheem Ahmed ,&nbsp;Ranjeet Kumar Brajpuriya ,&nbsp;Kavita Kumari ,&nbsp;B.H. Koo ,&nbsp;Aditya Sharma ,&nbsp;Shalendra Kumar","doi":"10.1016/j.jpcs.2025.112882","DOIUrl":"10.1016/j.jpcs.2025.112882","url":null,"abstract":"<div><div>This study investigates the impact of electrolytes on MWCNTs synthesized through PE-CVD, aiming to bridge the critical knowledge gap in selecting the most suitable electrolyte for MWCNT-based supercapacitor electrodes by performing a comparative electrochemical study. The structural analysis was carried out using X-ray diffraction (XRD), Raman spectroscopy, and high-resolution transmission electron microscopy (HR-TEM). The reflection at 2θ ∼25.40° in the XRD pattern, while two intense bands at 1324 cm⁻¹ and 1576 cm⁻¹ in Raman spectroscopy confirm the single-phase nature of MWCNTs. The FE-SEM image demonstrates dense tubular-type nanostructures. The interplanar spacing of ∼0.348 nm further validates the successful growth of MWCNTs. The MWCNTs had a high adsorption capacity with a specific surface area (SSA) of 68.73 m²/g and a 44.12 Å of average pore size. Electrochemical impedance spectroscopy (EIS), galvanostatic charge-discharge (GCD), and cyclic voltammetry (CV) were used to evaluate the electrochemical characteristics in 1 M KCl, KOH, Na₂SO₄, and NaOH electrolyte solutions. The GCD analysis revealed that the MWCNTs exhibited the highest specific capacitance in 1 M NaOH, which was 65.23 F/g at 1 A/g. In addition, the CV analysis indicated the specific capacitance of 61.51, 67.38, 71.63, and 72.17 F/g at a scan rate of 5 mV/s in 1 M KCl, KOH, Na₂SO₄, and NaOH electrolytes, respectively. According to the cyclic stability studies, the electrodes remained highly stable over 1000 cycles in 1 M NaOH, which shows 98 % retention. Furthermore, a symmetric supercapacitor device designed using MWCNTs exhibited a specific capacitance of 26.75 F/g and 23.57 F/g from GCD (0.25 A/g current density) and CV (5 mV/s scan rate), respectively. The observed energy and power densities were 3.71 Wh/Kg and 5000 W/kg, respectively, with a retention of 89 % after 1000 cycles, indicating its potential for future energy storage applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112882"},"PeriodicalIF":4.3,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144166073","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":"Synergistic combination of DJ 2D-3D Layers: Achieving 30.75 % perovskite solar cell efficiency","authors":"Pulkit Katiyar ,&nbsp;D.K. Dwivedi ,&nbsp;Pooja Lohia ,&nbsp;Rahul Pandey ,&nbsp;Jaya Madan ,&nbsp;Akash Anand Verma ,&nbsp;Mohamed H.H. Mahmoud ,&nbsp;M. Khalid Hossain","doi":"10.1016/j.jpcs.2025.112877","DOIUrl":"10.1016/j.jpcs.2025.112877","url":null,"abstract":"<div><div>Perovskite solar cells (PSCs), despite progress in times, face challenges related to their long-term stability owing to moisture, which poses a significant hurdle for their widespread commercial adoption. The progress in this field has brought two perovskites that show enhanced stability by merging organic cations and inorganic layers in an alternating pattern. The 2D perovskites are of two types: one is the Ruddlesden-Popper (RP) phase and the other is Dion-Jacobson (DJ) phase. These two phases are more stable than normal 3D perovskites. Both 2D phases are incorporated together to give further stabilization and enhanced performance to a solar cell when coexistence is forecasted. The DJ phase has a compact structure where the inorganic layers are directly accumulated on top of one another, while in the RP phase, there is a layer of organic cations between each inorganic layer, creating a larger interlayer distance. Due to this closer spacing in the DJ phase, charge carriers can move more efficiently through the material, resulting in better conductivity. A theoretical study has been conducted for PSCs, which are constructed as FTO/ZnO/CH₃NH₃PbI₃/PeDAMA₃Pb₄I₁₃/Cu₂O/Au. In the mentioned structure, CH₃NH₃PbI₃ is the 3D layer, which has a band gap of 1.58eV, and PeDAMA₃Pb₄I₁₃ is used as the 2D layer, with a band gap of 1.76eV, while FTO is light-harvesting layer with ZnO acting as an electron transport layer (ETL) and Cu₂O acts as a hole transport layer (HTL). Some selected ETL and HTL configurations were run using SCAPS-1D software. The proposed PSC structure shows a PCE of 30.75 % under high temperatures and moisture. The results, together with the excellent stability of DJ 2D perovskites due to the tighter packing, suggest that they can be considered potential candidates for PV applications. The short-circuit Current Density (J_SC) of 22.8 mA/cm², along with a Fill Factor (FF) of 86 % and Open-circuit Voltage (V_OC) of 1.56 V shows their good potential of outperforming 3D perovskites simultaneously for efficiency and durability in adverse conditions.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112877"},"PeriodicalIF":4.3,"publicationDate":"2025-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167092","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":"Semi-transparent perovskite solar cells with stacked absorber layer: Balancing power conversion efficiency and visible transmittance","authors":"Navdeep Kaur ,&nbsp;Jaya Madan ,&nbsp;Rahul Pandey","doi":"10.1016/j.jpcs.2025.112868","DOIUrl":"10.1016/j.jpcs.2025.112868","url":null,"abstract":"<div><div>The integration of semi-transparent perovskite solar cells (PSCs) in modern photovoltaic applications such as facades, windows, etc., offers a promising approach to achieving efficient energy generation while maintaining optical transparency. In this study, we have proposed a novel stacked absorber layer (SAL) architecture using all-inorganic, low-lead mixed halide perovskites—CsPb_0.625Zn_0.375I₂Cl, CsPb_0.625Zn_0.375I₂Br, and CsPb_0.625Zn_0.375IBr₂ as active layers. The photovoltaic (PV) performance and average visible transmittance (AVT) of the proposed SAL-PSCs are systematically optimized using the SCAPS-1D simulator (an open-source software) by varying absorber layer thicknesses (50 nm–500 nm). The results demonstrate a significant improvement in power conversion efficiency (PCE) with increasing SAL thickness, achieving peak values of 29.7 %, 28.5 %, and 30.4 % at 500 nm. Conversely, the highest AVT values of 14.4 %, 15.8 %, and 12.9 % are observed at 50 nm, highlighting the trade-off between transparency and efficiency. These findings establish SA-PSCs as viable candidates for building-integrated photovoltaics (BIPV) and next-generation solar technologies, offering an optimal balance between energy efficiency and optical functionality.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112868"},"PeriodicalIF":4.3,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167087","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":"Computational screening of 3,5-dicarbonitrilepyridine (DCP) core based eco-friendly solvent processed hole-transport materials for perovskite solar cells: A DFT and TD-DFT study","authors":"Saba Zahid ,&nbsp;Shaukat Ali ,&nbsp;Yasir Jamil ,&nbsp;Javed Iqbal","doi":"10.1016/j.jpcs.2025.112866","DOIUrl":"10.1016/j.jpcs.2025.112866","url":null,"abstract":"<div><div>Perovskite solar cells (PSCs) provide a premier option for next-generation photovoltaic technologies, providing elevated power conversion efficiencies (PCEs) and economical production methods. Being reliant on toxic solvents, such as dichloromethane, for the application of hole transport materials (HTMs) presents considerable environmental and health issues, obstructing their sustainable advancement. This study presents an assembly of green solvent-processable (toluene) <strong>DCP</strong> (3,5-dicarbonitrilepyridine) based HTMs designated as <strong>DCPM1-DCPM8,</strong> facilitating the production of PSCs with less environmental impact by analyzing their electronic, optical, thermodynamic, and chemical reactivity parameters. Density functional theory (DFT) simulations are used to examine the links between structure and properties, emphasizing charge transport and photophysical properties. The findings indicate that the designed HTMs demonstrate excellent HOMO energy levels, facilitating effective hole extraction and transmission while sustaining competitive PCE. The absorption spectra encompass the UV–visible range, augmenting the light-harvesting efficiency of the PSCs. Thermodynamic stability is validated by assessing solvation free energies in ecologically friendly solvents, underscoring the compatibility of these HTMs with sustainable processing techniques. Chemical reactivity characteristics confirmed the materials' potential for efficient charge transport and reduced recombination losses. Moreover, the developed HTMs exhibit enhanced film uniformity and stability when utilized with green solvents, facilitating prolonged device operation in environmentally friendly solvents and maintaining compatibility with the perovskite active layer.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112866"},"PeriodicalIF":4.3,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148019","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":"Pressure-induced phase transition of TaOx compounds from first-principles investigations","authors":"Jinghong Zhao ,&nbsp;Xue Du ,&nbsp;Shaokai Wu ,&nbsp;Shiling Luo ,&nbsp;Chengyi Yin ,&nbsp;Liang Fang ,&nbsp;Miao Zhou","doi":"10.1016/j.jpcs.2025.112881","DOIUrl":"10.1016/j.jpcs.2025.112881","url":null,"abstract":"<div><div>Using particle-swarm optimization algorithm and first-principles calculations, we have systematically investigated the phase stability of Ta–O compounds (TaO_<em>x</em>, <em>x</em> = 1, 1.5, 2, 2.5, and 3) at pressures up to 200 GPa. We successfully discover new structures of TaO_<em>x</em> that exhibit outstanding dynamical, thermodynamic, and mechanical stability at elevated pressures. Especially, at ambient pressure, TaO, Ta₂O₃, TaO₂, Ta₂O₅, and TaO₃ adopt <span><math><mrow><mi>P</mi><mi>m</mi><mover><mn>3</mn><mo>‾</mo></mover><mi>m</mi></mrow></math></span>, <em>Pbcn</em>, <em>P</em>4₂/<em>mnm</em>, <em>Pbam</em> and <span><math><mrow><mi>P</mi><mi>m</mi><mover><mn>3</mn><mo>‾</mo></mover><mi>m</mi></mrow></math></span> phases, which transform to <em>P</em>4/<em>nmm</em> (146 GPa), <em>Pnma</em> (39 GPa), <em>P</em>2₁/<em>c</em> (34 GPa), <em>C</em>2/<em>c</em> (8 GPa) and <span><math><mrow><mi>I</mi><mi>m</mi><mover><mn>3</mn><mo>‾</mo></mover></mrow></math></span> (124 GPa) phases respectively, highlighting the important role of pressure in driving structural phase transition. Analyses on chemical bonding characteristics suggest the ion nature of these structures, and electronic structure calculations demonstrate that <em>P</em>4/<em>nmm</em> TaO, <em>Pnma</em> Ta₂O₃, <em>P</em>2₁/<em>c</em> TaO₂, and <span><math><mrow><mi>I</mi><mi>m</mi><mover><mn>3</mn><mo>‾</mo></mover></mrow></math></span> TaO₃ exhibit metallic behaviors, while <em>C</em>2/<em>c</em> Ta₂O₅ is an insulator with a sizable band gap of 4.2 eV. We expect these results to provide valuable insights into the structural and electronic properties of TaO_<em>x</em> at high pressures, which may open up new possibilities for exploring the potential applications of technologically important oxides in harsh conditions.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112881"},"PeriodicalIF":4.3,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144166084","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":"Hydrogel enhancement at high temperature by graphene oxide interface reaction with polyacrylamide","authors":"Xinying Cui ,&nbsp;Chengwen Wang ,&nbsp;Weian Huang ,&nbsp;Shifeng Zhang ,&nbsp;Haiqun Chen ,&nbsp;Bo Wu ,&nbsp;Donghui Qin","doi":"10.1016/j.jpcs.2025.112876","DOIUrl":"10.1016/j.jpcs.2025.112876","url":null,"abstract":"<div><div>To migrate the gel degradation at high temperature oil and gas reservoir conditions, nano sized graphene oxide (GO) was composited in polyacrylamide (PAM) first, which was then reacted with organic crosslinker to fabricate the enhanced hydrogel. Based on the results of ATR-IR (Attenuated Total Reflectance Infrared Spectroscopy) and XPS (X-ray Photoelectron Spectroscopy), GO was successfully compounded in the gel and H bonding attributes to the main interaction between functional groups on GO surface and the polymer chains, which provides more potential physical cross-linking points. To evaluate the mechanical strength of gel samples, rheological property measurement and breakthrough pressure test were carried out. The results showed that at elevated temperature conditions, the incorporation of GO onto polymer chains can enhance the strength of hydroquinone (HQ)–hexamethylenetetramine (HMTA) crosslinked polymer gel, while it exhibited adverse effect on polyethyleneimine (PEI) crosslinked gels. TG test results also showed better thermal stability of HQ-HMTA crosslinked gel. SEM images showed that HQ-HMTA crosslinked composite gel has more tight network structure than that without GO. The influence of HQ-HMTA concentration, temperature, and water salinity were investigated. Even at temperatures over 130 °C or at maximum salinity of 20 %, no significant reduction of gel strength occurred. GO enhanced hydrogel can be considered as a promising material for plugging at severe reservoir conditions of high temperature and high salinity.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112876"},"PeriodicalIF":4.3,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167091","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":"Tuning graphitic carbon nitride: A computational study of metal, semiconductor, and Non‐Metal doping effects on electronic and thermodynamic properties","authors":"Babar Ali ,&nbsp;Qurat Ul Ain ,&nbsp;Muhammad Azeem ,&nbsp;Zijing Lin","doi":"10.1016/j.jpcs.2025.112878","DOIUrl":"10.1016/j.jpcs.2025.112878","url":null,"abstract":"<div><div>Graphitic carbon nitride (g-C₃N₄) is emerging as a promising semiconductor for optoelectronics, photocatalysis, and energy storage. The electronic and thermodynamic properties of g-C₃N₄ are investigated in this study via density functional theory (DFT) calculations (B3LYP/Lanl2dz) and the effects of metal, semiconductor, and non-metal doping on these properties assessed. Doping effectively reduces the HOMO–LUMO gap from 2.64 to 1.09 eV, increases the light absorption up to 720 nm, enhances charge transfer, and extends excited state (ES) lifetimes to 127 ns. Electronic structure analysis shows significant changes in charge distribution, and thermodynamic calculations show increased stability. P-gC₃N₄, Si-gC₃N₄, and Cu-gC₃N₄ have lower band gaps and strong excitation energies, making them ideal for light-emitting diodes. Meanwhile, P-gC₃N₄, Cd-gC₃N₄, and Se-gC₃N₄ optimize light absorption, enhancing solar cell efficiency. Ionization energy is ideal for sensors, while variants doped with Cu-gC₃N₄, Cd-gC₃N₄, or Se-gC₃N₄ enhance photodetectors, offering strong visible absorption and efficient charge transport for improved performance. Moreover, g-C₃N₄ doped with GaN₃-gC₃N₄, Cu-gC₃N₄, and W-gC₃N₄ are all found to possess high thermodynamic stabilities for hydrogen storage. Our findings demonstrate that doping is a powerful strategy to optimize g-C₃N₄ for advanced technological applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112878"},"PeriodicalIF":4.3,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148017","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":"Polaronic Hall mobility in neodymium nickelate films","authors":"Alexandr Stupakov ,&nbsp;Tomáš Kocourek ,&nbsp;Alexander Tarasenko ,&nbsp;Alexandr Dejneka ,&nbsp;Marina Tyunina","doi":"10.1016/j.jpcs.2025.112837","DOIUrl":"10.1016/j.jpcs.2025.112837","url":null,"abstract":"<div><div>Knowledge of the carrier mobility is essential for identifying and understanding charge transport mechanisms. This is especially relevant in rare-earth perovskite nickelates ReNiO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, which exhibit an orders-of-magnitude increase in electrical conductivity upon heating. Here, by studying the conductivity and the Hall effect in thin epitaxial films of neodymium nickelate NdNiO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, we experimentally establish the Hall mobility over a temperature interval of 4–400 K. The Hall mobility is found to be smaller than <span><math><mrow><mn>1</mn><mspace></mspace><msup><mrow><mi>cm</mi></mrow><mrow><mn>2</mn></mrow></msup><mo>/</mo><mi>Vs</mi></mrow></math></span> at all temperatures, which indicates carrier localization. A temperature analysis of the conductivity, the Hall coefficient, and the Hall mobility reveals the hopping of small polarons in the low-temperature insulator state, the possible transport of large polarons in the high-temperature conducting state, and percolation-type behavior in the transitional region. The evidenced polaronic transport is suggested to be innate in nickelates.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112837"},"PeriodicalIF":4.3,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167086","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":"Hydroxyl radical from UV-irradiated DI water: A simple method for enhancing metal oxide TFTs at low temperature","authors":"GiYoong Chung ,&nbsp;Yong-Sang Kim","doi":"10.1016/j.jpcs.2025.112873","DOIUrl":"10.1016/j.jpcs.2025.112873","url":null,"abstract":"<div><div>We have achieved improvements in the electrical properties and low-temperature fabrication of solution-processed amorphous indium-gallium-zinc oxide (a-IGZO) thin-film transistors (TFTs) using hydroxyl radicals (OH•) generated from ultraviolet-irradiated deionized water (UV-DI). Solution-processed a-IGZO is typically vulnerable due to the high thermal budget required to reduce organic chemical-induced defects arising from the inherent oxidation mechanism. To address this challenge, we generated hydroxyl radicals in deionized water through a UV/O₃ process; these strong oxidants effectively eliminate and decompose organic compounds and are widely used in industrial applications. Hydroxyl radicals were introduced into the IGZO sol-gel mixture, facilitating the production of lower boiling point components and enabling the deposition of IGZO active layers with fewer defects. Thermogravimetric and differential scanning calorimetry (TG-DSC) analysis revealed that the organic materials in the IGZO solution mixture with UV-DI began to decompose at a lower temperature (121.6 °C) than those in the pristine IGZO mixture (144.5 °C). An abrupt weight loss was also observed in the IGZO solution with UV-DI compared to the pristine IGZO solution. Additionally, the saturation mobility and sub-threshold slope of the a-IGZO TFTs made with UV-DI improved compared to the conventional process, increasing from 0.40 to 0.97 cm²/V·s and decreasing from 0.34 to 0.29 V/dec, respectively. These findings suggest that incorporating hydroxyl radicals from UV-DI into the sol-gel solution mixture is a simple method to achieve high-performance TFTs by reducing organic chemical-induced defects through low-temperature processing, potentially influencing future industry practices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112873"},"PeriodicalIF":4.3,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195445","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}