Surfaces and Interfaces最新文献

{"title":"Maghemite surface termination variations: Influence of models and Pt substrate","authors":"Amit Sahu,&nbsp;Céline Dupont","doi":"10.1016/j.surfin.2024.105377","DOIUrl":"10.1016/j.surfin.2024.105377","url":null,"abstract":"<div><div>In spite of the growing interest in maghemite, its structure is not accurately known, and numerous uncertainties remain. The ongoing debate centers on its crystalline structure, whether cubic or tetragonal, and its implications for stable surface terminations. This study explores the crystalline nature of maghemite — cubic versus tetragonal — and its effects on surface stability. Using density functional theory (DFT) with Hubbard corrections, we evaluated the stability and electronic properties of maghemite’s (001) and (111) surfaces under both cubic and tetragonal configurations, while also considering the influence of a Pt substrate and strain arising from lattice mismatch. Our findings indicate that native cubic (001) surfaces are inherently more stable than tetragonal ones. However, the presence of a Pt substrate shifts this stability, favoring the cubic (111) surface presenting a higher adhesion energy. We examined the electronic properties of various cases to provide a rationalization of the observed stability order. Our study provides crucial insights into the impact of crystalline structure and Pt substrate on the stability and favored terminations of maghemite surfaces, emphasizing their prospective utility as water oxidation catalysts.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142594133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Validation of spectroscopy quantitative method for the synthesis of compositionally-modulated FAPbI3 perovskite films by thermal evaporation","authors":"Felipe Barría-Cáceres ,&nbsp;Felipe A. Angel","doi":"10.1016/j.surfin.2024.105390","DOIUrl":"10.1016/j.surfin.2024.105390","url":null,"abstract":"<div><div>Aiming at the formation of graded junctions, specifically the utilization of perovskite-perovskite homojunctions, we have successfully developed a reproducible methodology for synthesizing perovskite films using dual deposition of organic and inorganic precursors through vacuum thermal evaporation, forming compositionally modulated FAPbI₃-based perovskite materials. These homojunctions leverage the self-compositional doping of perovskite materials, incorporating both n-doped and p-doped films. We employed complementary techniques such as energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), and glow discharge optical emission spectroscopy (GDOES) to characterize these films. The combination of our deposition technique and comprehensive spectroscopic analysis provides valuable insights into the composition and properties of the resulting films. By employing this novel methodology, we aim to advance the development of new processing methods for the synthesis of compositionally doped perovskite films and paving the way for their potential applications to fabricate solar cells that include perovskite-perovskite homojunctions, enhancing charge extraction at the interface.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multifunctional laser-ablated lubricant-infused slippery film with self-sensing and anti-icing/deicing properties","authors":"Chao Yang ,&nbsp;Haoxi Su ,&nbsp;Haozhong Ji ,&nbsp;Zhengpan Qi ,&nbsp;Yao Wang ,&nbsp;E Cheng ,&nbsp;Libin Zhao ,&nbsp;Ning Hu","doi":"10.1016/j.surfin.2024.105387","DOIUrl":"10.1016/j.surfin.2024.105387","url":null,"abstract":"<div><div>In this paper, we have developed a multifunctional laser-ablated lubricant-infused slippery film (MLLSF) by combining laser-induced graphene and lubricant-infused processes. Due to its lubricant-infused slippery surface characteristics, the MLLSF can decrease the ice adhesion strength to 7 kPa and prolong the ice time to 5 min at -20 °C. At the same time, benefitting from the outstanding photothermal effect of the laser-induced graphene conductive network, the surface temperature can rapidly rise from -20 °C to 45.6 °C in 60 s under 808-NIL illumination, thereby effectively melting the ice. More importantly, owing to the temperature sensing ability of the LIG conductive network, the prepared MLLSF can monitor the whole process of droplet icing and deicing process in real time. Therefore, this MLLSF with self-sensing, anti-icing and deicing properties has important practical values in monitoring and removing ice.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142594131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultrasonic synthesis of MOF-based hybrid composite for electrochemical detection of furazolidone antibiotic in food and biological samples","authors":"Pandiaraja Varatharajan ,&nbsp;Umamaheswari Rajaji ,&nbsp;S. Kutii Rani ,&nbsp;Nagamalai Vasimalai ,&nbsp;Mani Govindasamy","doi":"10.1016/j.surfin.2024.105384","DOIUrl":"10.1016/j.surfin.2024.105384","url":null,"abstract":"<div><div>This study reveals the development of a new combination of Bi-MOF/ functionalized carbon nanofiber (f-CNF) composite modified electrode for the electrochemical sensing of Furazolidone (FUZ) antibiotics. FUZ is used to prevent bacterial infections in animals, and an overdose of FUZ leads to several health issues. Bi-MOF/f-CNF provide excellent surface area, high conductivity, and electrocatalytic activity for the effective detection of FUZ. Various characterization techniques were used to analyze the structural, morphological and compositional properties of Bi-MOF/f-CNF. The fabricated composite coated onto glassy carbon electrode (GCE) and rotating disk glassy carbon electrode (RDGCE) to study its electrocatalytic behavior using different voltammetry techniques. Cyclic Voltammetry (CV) and Electrochemical Impedance Spectroscopy (EIS) analysis of the electrode material confirmed its high electroactive surface area, low charge transfer resistance, and excellent charge transfer ability. The electrochemical quantification of FUZ was performed using differential pulse voltammetry (DPV) and amperometric (i-t) techniques. The linear range, limit of detection (LOD) and sensitivity are 0.199 to 238 μM, 20.8 nM and 43.99 μA μM⁻¹ cm⁻², respectively, as determined by the DPV technique. Additionally, the LOD, linear range and sensitivity were obtained as 3.64 nM, 0.002 to 700 μM and 0.827 μA μM⁻¹ cm⁻², respectively using i-t quantification technique. The invented electrode material exhibits better stability in the presence of other interference molecules and it shows good repeatability and reproducibility for the detection of FUZ. Due to the excellent analytical properties, the Bi-MOF/f-CNF modified electrode could be the potential contender for the electrochemical detection of FUZ in the real samples.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586467","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced spintronic and electronic properties in MTe2-GdCl2 (M=Mo, W) heterojunctions","authors":"Anwar Ali ,&nbsp;Bin Lu ,&nbsp;Iltaf Muhammad ,&nbsp;Ismail Shahid ,&nbsp;Iqtidar Ahmad ,&nbsp;Nayab Arif ,&nbsp;Wei Tang ,&nbsp;Fuming Xu ,&nbsp;Yu-Jia Zeng","doi":"10.1016/j.surfin.2024.105364","DOIUrl":"10.1016/j.surfin.2024.105364","url":null,"abstract":"<div><div>Two-dimensional ferromagnetic heterojunctions with direct bandgaps and high Curie temperatures (<em>T</em>_C) are promising candidates for applications in nanoelectronics and spintronics. Here, we design a Mo(W)Te₂-GdCl₂ heterojunction by integrating experimentally synthesized monolayer Mo(W)Te₂ with recently predicted ferromagnetic monolayer GdCl₂. Our first-principles calculations reveal that these heterojunctions display a type-II (staggered) band alignment with a narrow direct bandgap ranging from 1.10 to 1.23 eV, using the HSE06 method. We have incorporated spin-orbit coupling and conducted Monte Carlo simulations to precisely estimate the magnetic ground states of these systems. We find that spin-orbit coupling plays a crucial role in the valence band splitting at the K-point in both heterojunctions. The magnetic anisotropy, <em>T</em>_C, and optical performance of individual monolayers are enhanced within these heterojunctions. Under compressive strain, the <em>T</em>_C of the heterojunctions increases significantly, reaching about 278 K at -7 % strain, due to strengthened super-exchange interactions between Gd-<em>d</em> and Cl-<em>p</em> orbitals and enhanced interlayer charge transfer. In addition, the band alignment shifts from type-II to type-I under -3 % compressive strain, while tensile strain maintains the type-II band alignment. Our findings offer a viable pathway for developing ferromagnetic semiconducting heterojunctions suitable for nanoelectronic and spintronic applications.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 study of WS2 monolayer decorated with noble metals (Pt, Rh, Ir) as the promising candidates to detect nitrogenous poisonous gases","authors":"Huihui Xiong ,&nbsp;Shulin Zhang ,&nbsp;Yingying Ma ,&nbsp;Yifu Zhang ,&nbsp;Haojie Huang ,&nbsp;Junhui Li ,&nbsp;Chengcheng Sun ,&nbsp;Xiaocong Zhong","doi":"10.1016/j.surfin.2024.105363","DOIUrl":"10.1016/j.surfin.2024.105363","url":null,"abstract":"<div><div>Rapid identification of nitrogenous toxic gases (NPGs, including NO, NO₂, NH₃, and HCN) emitted from industrial processes is essential for environmental preservation. In this research, the first-principles calculations have been employed to systematically investigate the adsorption behavior and sensing characteristics of Pt, Rh, Ir-modified WS₂ monolayers (Pt-WS₂, Rh-WS₂, and Ir-WS₂) towards these NPGs, with the aim of assessing the potential of WS₂-based gas sensors for NPG detection. The results show that Pt, Rh, and Ir atoms can be stably anchored on the WS₂ surface, enhancing its chemical stability and the quantity of active sites. Additionally, the strong orbital hybridization between these noble metal atoms and gas molecules enhances the adsorption capacity of WS₂, markedly boosting the adsorption potency of these modified substances towards NPGs (E_ads≥−0.69 eV) while maintaining high selectivity toward NPGs in the presence of interfering gases (H₂O, N₂, CO₂). Analysis of the density of states, charge density distribution, and electron localization function indicates weak chemical adsorption of HCN on Pt-WS₂, Rh-WS₂, and Ir-WS₂, while strong chemical adsorption is observed for NO, NO₂, and NH₃. Furthermore, the adsorption of NO and NO₂ leads to significant band gap changes (∆E_g &gt; 30 %) of Pt-WS₂, Rh-WS₂, and Ir-WS₂, and the response of work function to NH₃ and HCN adsorption is similarly pronounced (∆Φ &gt; 15 %). Finally, analysis of recovery time indicates that Pt-WS₂ and Rh-WS₂ can serve as work function gas sensors for HCN and as adsorbents for NO, NO₂, and NH₃ at room temperature, whereas Ir-WS₂ can function as a reusable gas sensor for the effective detection of HCN at high temperature. This investigation establishes a robust theoretical framework for the development and manufacture of high-performance WS₂-based gas sensors.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142594136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Eco-friendly synthesis of Nd³⁺-doped Eu₂O₃ nanoparticles for enhanced dye-sensitized solar cells utilizing oxalis Corniculata leaf extract","authors":"Shelan M. Mustafa","doi":"10.1016/j.surfin.2024.105361","DOIUrl":"10.1016/j.surfin.2024.105361","url":null,"abstract":"<div><div>An environmentally friendly synthesis of Nd³⁺-doped Eu₂O₃ nanoparticles (NPs) was developed using <em>Oxalis Corniculata</em> leaf (OCL) extract to enhance the performance of dye-sensitized solar cells (DSSCs). The as-synthesized NPs were annealed at 600 °C to improve their crystallinity. X-ray diffraction and field-emission scanning electron microscopy revealed high crystallinity and a sub-100 nm spherical morphology. Annealing reduced the NP size from ∼85 nm to ∼45 nm and decreased the bandgap from 4.97 eV to 4.62 eV, enhancing low-energy photon absorption. Fourier-transform infrared spectroscopy showed changes in the chemical bonding environment, with a higher presence of dangling bonds in the as-prepared NPs compared to the 600 °C-annealed NPs, likely due to the OCL extract. Photoluminescence spectra confirmed strong red emission peaks at 580 nm and 612 nm, with a slight reduction in the full width at half maximum of the electric dipole transition after annealing. Integrating these NPs into TiO₂ matrices in DSSCs improved power conversion efficiency to 8.58%, outperforming both as-prepared NPs (6.88%) and bare TiO₂ cells (5.05%). This green synthesis approach offers a sustainable pathway for slightly enhancing performance of photovoltaic devices, with additional potential for UV-shielding applications when incorporated into PVA films.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571672","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 study of selective CO2 activation to methanol on PdZn/TiO2: Unveiling Zn/Pd ratio on catalysis performance","authors":"Jie Yu ,&nbsp;Xiuqin Zhang ,&nbsp;Zhe Zheng ,&nbsp;Junyao Chen ,&nbsp;Kai Tan ,&nbsp;Xin Lu","doi":"10.1016/j.surfin.2024.105374","DOIUrl":"10.1016/j.surfin.2024.105374","url":null,"abstract":"<div><div>In this study, a series of Pd_(8-n)Zn_n/TiO₂(n=0–8) were investigated via density functional theory (DFT) to understand the influence of Zn/Pd ratio on their catalysis performance of conversion CO₂ to methanol. It is revealed that Zn prefers to replace the bottom-layered Pd when its molar concentration in composition increases. For all surface models, interface between cluster and support plays a key role in CO₂ stabilization and activation. Increasing Zn/Pd ratio could weaken the binding strength of CO₂ over catalyst, which further hinders the “RWGS” pathway while promotes the “Formate” pathway. Based on the calculation results, a Brønsted–Evans–Polanyi (BEP) relation between the activation barrier (<em>E</em>_a) of key elementary steps from both mechanisms and the binding strength of key intermediates has been established, from which the optimum Zn/Pd ratio leading to the best catalysis performance has been determined. Moreover, it is found that water inclusion in the system does not change the <em>E</em>_a of rate-determining step much even though it has a promotion effect on O<img>H formation steps. Overall, this work provides some meaningful insight into the influence of cluster composition on the catalysis performance of PdZn-based catalyst and provides valuable information about rational design of the supported bimetallic catalyst.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142594128","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Reliable transfer enabled by UV-curable stamp with tunable rigidity","authors":"Lei Chen ,&nbsp;Yuan Niu ,&nbsp;Cuihong Liu ,&nbsp;Runhong Fan ,&nbsp;Peng Liu ,&nbsp;Dongxu Ma ,&nbsp;Xiaoqing Zhang ,&nbsp;Chengzhi Liu ,&nbsp;Huigao Duan","doi":"10.1016/j.surfin.2024.105348","DOIUrl":"10.1016/j.surfin.2024.105348","url":null,"abstract":"<div><div>Transfer printing enables the fabrication of flexible electronics by transferring devices from donor to receiver substrates. However, using an elastic stamp can cause strain and damage during transfer. A rigid stamp can solve this issue, but rigid materials are unsuitable for flexible electronics. In this study, we present a transfer approach using a UV-curable polyurethane acrylate film as a stamp with solvent-induced mechanical properties, from rigidity to elasticity. During the transfer, the UV-curable film is tuned to be rigid to prevent damage to the transferred materials caused by strain during peeling. The approach enables the intact transfer of metallic structures, including various multi-scale Ag patterns with the highest resolution of 10 μm, high transfer yield, and scalability. The interfacial mechanisms of metal transfer were analyzed. The results demonstrate that surface modification through increasing contact angles, improve the stability of metal transfer. When soaked in ethanol, the film becomes soft and elastic, making it an ideal flexible substrate for fabricating electronics, especially for applications in sensing, healthcare, and artificial skin.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571668","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effective degradation of phenol by in-situ photocatalytic-Fenton-like technology with BiVO4/Bi2WO6/Ti3C2 QDs","authors":"Huining Zhang ,&nbsp;Lihong Tian ,&nbsp;Zongqian Zhang ,&nbsp;Jianping Han ,&nbsp;Zhiguo Wu ,&nbsp;Zhiqiang Wei ,&nbsp;Shaofeng Wang ,&nbsp;Yang Cao ,&nbsp;Seng Zhang ,&nbsp;Yue Zhang","doi":"10.1016/j.surfin.2024.105315","DOIUrl":"10.1016/j.surfin.2024.105315","url":null,"abstract":"<div><div>Photocatalytically coupled Fenton-like is an environmentally promising technology for water treatment. In this work, BiVO₄/Bi₂WO₆/Ti₃C₂ QDs composite photocatalysts (BBT) were prepared by hydrothermal and calcination methods to construct an in situ photocatalytic Fenton-like system. The photocatalytic degradation experiments were carried out under xenon lamp irradiation with phenol as the target pollutant. The BBT-2 photocatalyst could degrade 78.0% of phenol in 180 min. Compared with the catalyst without Ti₃C₂ QDs doping, the degradation efficiency was improved by 14%. The H₂O₂ yield of the BBT-2 catalyst reached 48.7 μM in the same time. Free radical trapping experiments showed that the BBT photocatalysts generated H₂O₂ by two-electron reduction of oxygen and hole oxidation of water. In addition, h⁺ and H₂O₂ play important roles in the phenol photocatalytic process during the degradation of phenol, and a possible reaction mechanism has been proposed. In this work, the combination of photocatalysis and Fenton-like reaction provides a solution for the green and sustainable degradation of highly toxic, difficult-to-degrade organic pollutants.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142552361","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}