This study explores the ligand-directed synthesis of NiS2, MoS2, Ni-MoS2, and 2Ni-MoS2 using citric acid (CA) and malic acid (MA) as ligands, supported by experimental results and density functional theory (DFT) calculations. CA was employed to prepare isolated NiS2 and MoS2, while MA facilitated the formation of bimetallic Ni-MoS2 and 2Ni-MoS2. The catalysts were evaluated for their performance in the hydrocracking of Phenanthrene (PHE), revealing distinct product selectivity. Isolated NiS2 and MoS2 predominantly produced short-chain monoaromatic products due to limited hydrogen spillover and strong binding of intermediates, whereas Ni-MoS2 and 2Ni-MoS2 selectively formed long-chain monoaromatics, driven by enhanced hydrogen spillover, synergistic Ni-Mo interactions, and improved intermediate stabilization.
DFT calculations provided insights into the ligand effect on electronic structures and catalytic properties. CA-derived NiS2 and MoS2 exhibited strong binding at active sites but limited dynamic interactions, while MA-derived Ni-MoS2 and 2Ni-MoS2 demonstrated moderate adsorption energies and efficient charge transfer, favoring selective hydrogenation and bond cleavage. These findings highlight the critical role of ligand choice in tailoring the structural and electronic properties of catalysts, offering a rational design strategy for optimizing hydrocracking processes and achieving desired product distributions.
{"title":"Atomic-Scale insights into hybridization and synergistic Catalysis of Ni-MoS2 and 2Ni-MoS2 for hydrocracking phenanthrene: A comprehensive study of Citric Acid-Directed NiS2 and MoS2 for selective Short-Chain monoaromatics and Malic Acid-Directed Ni-MoS2 and 2Ni-MoS2 for selective long-chain monoaromatics","authors":"Sakollapath Pithakratanayothin , Yutthana Wongnongwa , Eumporn Buarod , Boonyawan Yoosuk , Suparoek Henpraserttae , Thanyalak Chaisuwan","doi":"10.1016/j.apsusc.2025.162835","DOIUrl":"10.1016/j.apsusc.2025.162835","url":null,"abstract":"<div><div>This study explores the ligand-directed synthesis of NiS<sub>2</sub>, MoS<sub>2</sub>, Ni-MoS<sub>2</sub>, and 2Ni-MoS<sub>2</sub> using citric acid (CA) and malic acid (MA) as ligands, supported by experimental results and density functional theory (DFT) calculations. CA was employed to prepare isolated NiS<sub>2</sub> and MoS<sub>2</sub>, while MA facilitated the formation of bimetallic Ni-MoS<sub>2</sub> and 2Ni-MoS<sub>2</sub>. The catalysts were evaluated for their performance in the hydrocracking of Phenanthrene (PHE), revealing distinct product selectivity. Isolated NiS<sub>2</sub> and MoS<sub>2</sub> predominantly produced short-chain monoaromatic products due to limited hydrogen spillover and strong binding of intermediates, whereas Ni-MoS<sub>2</sub> and 2Ni-MoS<sub>2</sub> selectively formed long-chain monoaromatics, driven by enhanced hydrogen spillover, synergistic Ni-Mo interactions, and improved intermediate stabilization.</div><div>DFT calculations provided insights into the ligand effect on electronic structures and catalytic properties. CA-derived NiS<sub>2</sub> and MoS<sub>2</sub> exhibited strong binding at active sites but limited dynamic interactions, while MA-derived Ni-MoS<sub>2</sub> and 2Ni-MoS<sub>2</sub> demonstrated moderate adsorption energies and efficient charge transfer, favoring selective hydrogenation and bond cleavage. These findings highlight the critical role of ligand choice in tailoring the structural and electronic properties of catalysts, offering a rational design strategy for optimizing hydrocracking processes and achieving desired product distributions.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"695 ","pages":"Article 162835"},"PeriodicalIF":6.3,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143525999","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}
Pub Date : 2025-02-28DOI: 10.1016/j.apsusc.2025.162826
Hasanuwan B. Ihalagedara, QianFeng Xu, Alexander Greer, Alan M. Lyons
Photosensitizers (PSs) dissolved in solvents generate reactive oxygen species, such as singlet oxygen (1O2), in high yields, especially when the PS is fully solvated and unaggregated. For many applications, such as water treatment, homogenous phase reactions are not practical because the PS will contaminate the solution and be difficult to recover and reuse. Immobilizing PSs on solid polymer supports is an emerging strategy for 1O2 applications, as it prevents the PS from entering the solution and thus enables PS reuse. However, 1O2 yields from polymer-supported PS surfaces are much lower than in solvated systems. In this paper, we employ novel approaches to modify surface topography and surface chemistry of the polymer support to significantly increase 1O2 yields. To fabricate the surfaces we deposit a fluorinated, water-insoluble porphyrin, 5,10,15,20-tetrakis(pentafluorophenyl)porphyrin (TFPP) onto polyethylene terephthalate (PET) and polydimethylsiloxane (PDMS) surfaces. We demonstrate that superhydrophobic surfaces exhibit a 2.9-fold higher yield of 1O2 compared to planar, wetted surfaces, even when the planar surfaces exhibit significant roughness from the addition of silica particles. Modifying the polymer surface chemistry to accelerate PS solution spreading decreases PS crystallite size thereby increasing PS surface area and further increasing 1O2 yields. Surface chemistry also affects PS aggregation; the PS forms J-aggregates on PET, but crystallizes in an unaggregated (non-overlapping) form on PDMS. Contrary to conventional assumptions, the PS aggregate state and higher loadings of the PS are not correlated with higher 1O2 yields, whereas reducing the size of PS crystallites significantly increases yields.
{"title":"High singlet oxygen yields from a polymer-supported photosensitizer via superhydrophobicity and control of photosensitizer morphology","authors":"Hasanuwan B. Ihalagedara, QianFeng Xu, Alexander Greer, Alan M. Lyons","doi":"10.1016/j.apsusc.2025.162826","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162826","url":null,"abstract":"Photosensitizers (PSs) dissolved in solvents generate reactive oxygen species, such as singlet oxygen (<sup>1</sup>O<sub>2</sub>), in high yields, especially when the PS is fully solvated and unaggregated. For many applications, such as water treatment, homogenous phase reactions are not practical because the PS will contaminate the solution and be difficult to recover and reuse. Immobilizing PSs on solid polymer supports is an emerging strategy for <sup>1</sup>O<sub>2</sub> applications, as it prevents the PS from entering the solution and thus enables PS reuse. However, <sup>1</sup>O<sub>2</sub> yields from polymer-supported PS surfaces are much lower than in solvated systems. In this paper, we employ novel approaches to modify surface topography and surface chemistry of the polymer support to significantly increase <sup>1</sup>O<sub>2</sub> yields. To fabricate the surfaces we deposit a fluorinated, water-insoluble porphyrin, 5,10,15,20-tetrakis(pentafluorophenyl)porphyrin (TFPP) onto polyethylene terephthalate (PET) and polydimethylsiloxane (PDMS) surfaces. We demonstrate that superhydrophobic surfaces exhibit a 2.9-fold higher yield of <sup>1</sup>O<sub>2</sub> compared to planar, wetted surfaces, even when the planar surfaces exhibit significant roughness from the addition of silica particles. Modifying the polymer surface chemistry to accelerate PS solution spreading decreases PS crystallite size thereby increasing PS surface area and further increasing <sup>1</sup>O<sub>2</sub> yields. Surface chemistry also affects PS aggregation; the PS forms J-aggregates on PET, but crystallizes in an unaggregated (non-overlapping) form on PDMS. Contrary to conventional assumptions, the PS aggregate state and higher loadings of the PS are not correlated with higher <sup>1</sup>O<sub>2</sub> yields, whereas reducing the size of PS crystallites significantly increases yields.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"127 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143525993","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}
Pub Date : 2025-02-28DOI: 10.1016/j.apsusc.2025.162830
Jingyang Jiang , Jiaqi Lu , Jinkai Chen , Dinku Hazarika , Chi Zhang , Hao Jin , Shurong Dong , Weipeng Xuan , Jikui Luo
With the rapid development of the Internet of Things (IoT), sensors for extreme environments, such as fires or outer space, require triboelectric nanogenerators (TENGs) that perform reliably at high temperatures to provide sustainable energy. However, traditional TENGs face severe performance degradation due to thermionic emission at elevated temperatures. To address this, we introduced ion barrier layers (SiO2 and polytetrafluoroethylene (PTFE)) to suppress thermionic emission and improve charge retention of injected ions. High-temperature experiments showed that the SiO2 ion barrier significantly enhances charge retention, with further improvement observed using PTFE. Molecular dynamics (MD) and density functional theory (DFT) calculations were employed to elucidate the underlying mechanisms. MD simulations quantify the mean square displacements of injected ions, showing strong consistency with experimental results. DFT calculations evaluate the electrostatic potentials of various structures, revealing that interfaces with higher average electrostatic potential offer better charge retention. These findings provide a strategy for enhancing TENG performance in high-temperature environments and offer guidance for the design of TENG materials and structures for extreme applications.
{"title":"Ion barrier layer-induced enhancement of ionic charge retention in triboelectric nanogenerators at high temperatures","authors":"Jingyang Jiang , Jiaqi Lu , Jinkai Chen , Dinku Hazarika , Chi Zhang , Hao Jin , Shurong Dong , Weipeng Xuan , Jikui Luo","doi":"10.1016/j.apsusc.2025.162830","DOIUrl":"10.1016/j.apsusc.2025.162830","url":null,"abstract":"<div><div>With the rapid development of the Internet of Things (IoT), sensors for extreme environments, such as fires or outer space, require triboelectric nanogenerators (TENGs) that perform reliably at high temperatures to provide sustainable energy. However, traditional TENGs face severe performance degradation due to thermionic emission at elevated temperatures. To address this, we introduced ion barrier layers (SiO<sub>2</sub> and polytetrafluoroethylene (PTFE)) to suppress thermionic emission and improve charge retention of injected ions. High-temperature experiments showed that the SiO<sub>2</sub> ion barrier significantly enhances charge retention, with further improvement observed using PTFE. Molecular dynamics (MD) and density functional theory (DFT) calculations were employed to elucidate the underlying mechanisms. MD simulations quantify the mean square displacements of injected ions, showing strong consistency with experimental results. DFT calculations evaluate the electrostatic potentials of various structures, revealing that interfaces with higher average electrostatic potential offer better charge retention. These findings provide a strategy for enhancing TENG performance in high-temperature environments and offer guidance for the design of TENG materials and structures for extreme applications.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"693 ","pages":"Article 162830"},"PeriodicalIF":6.3,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143521247","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}
Pub Date : 2025-02-28DOI: 10.1016/j.apsusc.2025.162829
Xiaoxiao Li, Yu Yan, Yuan Yao, Yang Liu
The development of efficient oxygen evolution reaction electrocatalysts is crucial for the sustainable conversion of clean energy sources. However, most catalytic materials that mainly adhere to the traditional adsorbate evolution mechanism or the lattice oxygen-mediated mechanism, often struggle to strike a balance between high activity and stability. Herein, we designed VN/C electrocatalyst that followed an unconventional oxide path mechanism. This catalyst triggered direct *O-O* radical coupling, resulting in a V-O-O-V intermediate and effectively bypassing the formation of *OOH species. It demonstrated excellent catalytic performance with low overpotentials of 221 and 280 mV at 10 and 50 mA cm−2, a small Tafel slope of 62.8 mV dec–1, a high Faraday efficiency of 98.6 % and remarkable stability under continuous 50 h operation (at 1.47 V vs. RHE). Furthermore, density functional theory (DFT) calculations and in situ infrared spectroscopy and Raman spectroscopy revealed that *O intermediates can be directly coupled to form *O-O* radical coupling at V sites, thus overcoming the limitations associated with the four-electron transfer steps in OER. This work offers valuable insights and foundation for the development of symmetric dual-site OER catalysts with oxide path mechanism.
开发高效的氧进化反应电催化剂对于清洁能源的可持续转化至关重要。然而，大多数催化材料主要遵循传统的吸附剂进化机制或晶格氧介导机制，往往难以在高活性和稳定性之间取得平衡。在此，我们设计了一种遵循非常规氧化物路径机制的 VN/C 电催化剂。这种催化剂可直接触发 *O-O* 自由基偶联，产生 V-O-O-V 中间体，有效绕过 *OOH 物种的形成。该催化剂具有出色的催化性能，在 10 mA cm-2 和 50 mA cm-2 条件下，过电位分别为 221 mV 和 280 mV，塔菲尔斜率小（62.8 mV dec-1），法拉第效率高达 98.6 %，并且在连续运行 50 小时（1.47 V 对 RHE）后具有显著的稳定性。此外，密度泛函理论（DFT）计算以及原位红外光谱和拉曼光谱显示，*O 中间体可以直接耦合，在 V 位点形成 *O-O* 自由基耦合，从而克服了 OER 中与四电子转移步骤相关的限制。这项工作为开发具有氧化物路径机制的对称双位点 OER 催化剂提供了宝贵的见解和基础。
{"title":"Oxygen radical coupling on short-range ordered V sites for enhanced oxygen evolution reaction activity","authors":"Xiaoxiao Li, Yu Yan, Yuan Yao, Yang Liu","doi":"10.1016/j.apsusc.2025.162829","DOIUrl":"10.1016/j.apsusc.2025.162829","url":null,"abstract":"<div><div>The development of efficient oxygen evolution reaction electrocatalysts is crucial for the sustainable conversion of clean energy sources. However, most catalytic materials that mainly adhere to the traditional adsorbate evolution mechanism or the lattice oxygen-mediated mechanism, often struggle to strike a balance between high activity and stability. Herein, we designed VN/C electrocatalyst that followed an unconventional oxide path mechanism. This catalyst triggered direct *O-O* radical coupling, resulting in a V-O-O-V intermediate and effectively bypassing the formation of *OOH species. It demonstrated excellent catalytic performance with low overpotentials of 221 and 280 mV at 10 and 50 mA cm<sup>−2</sup>, a small Tafel slope of 62.8 mV dec<sup>–1</sup>, a high Faraday efficiency of 98.6 % and remarkable stability under continuous 50 h operation (at 1.47 V vs. RHE). Furthermore, density functional theory (DFT) calculations and <em>in situ</em> infrared spectroscopy and Raman spectroscopy revealed that *O intermediates can be directly coupled to form *O-O* radical coupling at V sites, thus overcoming the limitations associated with the four-electron transfer steps in OER. This work offers valuable insights and foundation for the development of symmetric dual-site OER catalysts with oxide path mechanism.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"694 ","pages":"Article 162829"},"PeriodicalIF":6.3,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143525992","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}
Pub Date : 2025-02-27DOI: 10.1016/j.apsusc.2025.162825
Jun Utsumi, Ryo Takigawa
The structure and chemistry of the aluminum oxide bonding interface formed via room-temperature surface-activated bonding were investigated using transmission electron microscopy (TEM) and electron energy-loss spectroscopy (EELS). The results revealed that Al atoms at the interface of sapphire (α-Al2O3)–sapphire bonding occupied both octahedral and tetrahedral sites. The sapphire–Al2O3 film bonding interface also exhibited localized formation of a γ-Al2O3 phase, whereas the Al2O3–Al2O3 film bonding showed no distinct reaction layer. Fast Fourier transform (FFT) analyses of high-resolution TEM images from the interlayer region at the sapphire–sapphire bonding interfaces revealed lattice diffraction patterns similar to those of the sapphire substrate. A corresponding FFT diffraction pattern was observed at the sapphire–Al2O3 film bonding interface in spite of the fact that the atomic structure was not clearly visible. Changes in the coordination state of the Al atoms on the sapphire surface during activation significantly affect these aluminum oxide bonds. This study contributes to the understanding of the bonding mechanism in direct bonding of aluminum oxides at room temperature.
{"title":"Crystallographic structure of aluminum oxide bonding interfaces prepared via room‐temperature surface-activated bonding","authors":"Jun Utsumi, Ryo Takigawa","doi":"10.1016/j.apsusc.2025.162825","DOIUrl":"10.1016/j.apsusc.2025.162825","url":null,"abstract":"<div><div>The structure and chemistry of the aluminum oxide bonding interface formed via room-temperature surface-activated bonding were investigated using transmission electron microscopy (TEM) and electron energy-loss spectroscopy (EELS). The results revealed that Al atoms at the interface of sapphire (α-Al<sub>2</sub>O<sub>3</sub>)–sapphire bonding occupied both octahedral and tetrahedral sites. The sapphire–Al<sub>2</sub>O<sub>3</sub> film bonding interface also exhibited localized formation of a γ-Al<sub>2</sub>O<sub>3</sub> phase, whereas the Al<sub>2</sub>O<sub>3</sub>–Al<sub>2</sub>O<sub>3</sub> film bonding showed no distinct reaction layer. Fast Fourier transform (FFT) analyses of high-resolution TEM images from the interlayer region at the sapphire–sapphire bonding interfaces revealed lattice diffraction patterns similar to those of the sapphire substrate. A corresponding FFT diffraction pattern was observed at the sapphire–Al<sub>2</sub>O<sub>3</sub> film bonding interface in spite of the fact that the atomic structure was not clearly visible. Changes in the coordination state of the Al atoms on the sapphire surface during activation significantly affect these aluminum oxide bonds. This study contributes to the understanding of the bonding mechanism in direct bonding of aluminum oxides at room temperature.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"694 ","pages":"Article 162825"},"PeriodicalIF":6.3,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143518192","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}
Pub Date : 2025-02-27DOI: 10.1016/j.apsusc.2025.162824
Liu Yang, Xinyu Li, Hanze He, Tingting Liu, Weizhen Wang, Zhiqing Yang, Song Li, Jing Li, Baodan Liu
Achieving high catalytic activity at low temperatures in the selective catalytic reduction of NO by CO (CO-SCR) remains a significant challenge, primarily due to the inhibitory effect of O2, which hampers the NO reduction process. In this study, we designed Rh-Pt alloy clusters supported on TiO2 nanosheets to optimize the CO-SCR performance. Among the catalysts investigated, Rh1Pt1/TiO2/Ti demonstrated exceptional low-temperature catalytic performance. Under 0.15 % O2 conditions, the Rh1Pt1/TiO2/Ti catalyst achieved complete NO conversion at 180 °C, outperforming both Rh1/TiO2/Ti and Pt1/TiO2/Ti catalysts. Characterization results revealed the strong interaction between Rh, Pt and TiO2 optimizes electron transfer, enhances overall catalytic activity and promotes efficient adsorption and activation of both CO and NO. Specifically, Rh facilitates the adsorption and dissociation of NO, while Pt enhances CO adsorption and transformation. Based on in-situ FTIR experiments and DFT calculations, a possible reaction mechanism for the Rh-Pt/TiO2/Ti catalyst in CO-SCR was proposed. This study provides valuable insights for the exploration and development of CO-SCR catalysts towards industrial application.
在一氧化碳选择性催化还原一氧化氮（CO-SCR）过程中，在低温下实现高催化活性仍然是一项重大挑战，这主要是由于氧气的抑制作用阻碍了一氧化氮的还原过程。在本研究中，我们设计了支撑在 TiO2 纳米片上的 Rh-Pt 合金团簇，以优化 CO-SCR 性能。在所研究的催化剂中，Rh1Pt1/TiO2/Ti 表现出优异的低温催化性能。在 0.15%O2 条件下，Rh1Pt1/TiO2/Ti 催化剂在 180 °C 时实现了完全的氮氧化物转化，性能优于 Rh1/TiO2/Ti 和 Pt1/TiO2/Ti催化剂。表征结果表明，Rh、Pt 和 TiO2 之间的强相互作用优化了电子传递，提高了整体催化活性，促进了 CO 和 NO 的高效吸附和活化。具体来说，Rh 促进了 NO 的吸附和解离，而 Pt 则增强了 CO 的吸附和转化。根据原位傅立叶变换红外实验和 DFT 计算，提出了 Rh-Pt/TiO2/Ti 催化剂在 CO-SCR 中的可能反应机理。这项研究为探索和开发面向工业应用的 CO-SCR 催化剂提供了宝贵的见解。
{"title":"Enhanced low-temperature activity of Rh-Pt alloy clusters supported on TiO2/Ti nanosheets for selective catalytic reduction of NO by CO","authors":"Liu Yang, Xinyu Li, Hanze He, Tingting Liu, Weizhen Wang, Zhiqing Yang, Song Li, Jing Li, Baodan Liu","doi":"10.1016/j.apsusc.2025.162824","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162824","url":null,"abstract":"Achieving high catalytic activity at low temperatures in the selective catalytic reduction of NO by CO (CO-SCR) remains a significant challenge, primarily due to the inhibitory effect of O<sub>2</sub>, which hampers the NO reduction process. In this study, we designed Rh-Pt alloy clusters supported on TiO<sub>2</sub> nanosheets to optimize the CO-SCR performance. Among the catalysts investigated, Rh1Pt1/TiO<sub>2</sub>/Ti demonstrated exceptional low-temperature catalytic performance. Under 0.15 % O<sub>2</sub> conditions, the Rh1Pt1/TiO<sub>2</sub>/Ti catalyst achieved complete NO conversion at 180 °C, outperforming both Rh1/TiO<sub>2</sub>/Ti and Pt1/TiO<sub>2</sub>/Ti catalysts. Characterization results revealed the strong interaction between Rh, Pt and TiO<sub>2</sub> optimizes electron transfer, enhances overall catalytic activity and promotes efficient adsorption and activation of both CO and NO. Specifically, Rh facilitates the adsorption and dissociation of NO, while Pt enhances CO adsorption and transformation. Based on in-situ FTIR experiments and DFT calculations, a possible reaction mechanism for the Rh-Pt/TiO<sub>2</sub>/Ti catalyst in CO-SCR was proposed. This study provides valuable insights for the exploration and development of CO-SCR catalysts towards industrial application.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"32 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143506799","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}
The authors regret the incorrect text used in the Abstract section. The revised content is given below.
{"title":"Corrigendum to “The peculiarities of direct gallium nitride growth on silicon substrates after surface passivation with gallium atoms and indium as a surfactant” [Appl. Surf. Sci. 689 (2025) 162571]","authors":"P.V. Seredin, D.L. Goloshchapov, O.K. Kosheleva, N.S. Buylov, Y.A. Peshkov, K.A. Barkov, E.S. Kersnovsky, A.M. Mizerov, S.N. Timoshnev, M.S. Sobolev, D.V. Serikov, A.I. Chukavin, V.N. Nevedomskiy, S.A. Kukushkin","doi":"10.1016/j.apsusc.2025.162776","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162776","url":null,"abstract":"The authors regret the incorrect text used in the Abstract section. The revised content is given below.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"51 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143506798","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}
Pub Date : 2025-02-27DOI: 10.1016/j.apsusc.2025.162680
E. Torretti , F. Paparoni , J.D. Cook , A. D’Elia , A. Di Cicco , L. Douillard , M. Faure , A. Marcelli , M. Minicucci , W. O’Neill , E. Rollin , M. Sparkes , B. Spataro , N. Lockwood , S.J. Rezvani
Metal oxide-metal heterojunctions are tunable structural and electronic systems characterised by defect density and diffusion properties. The junction formation’s kinetics and adatoms surface energy affect both nucleation and diffusion processes. The mechanism and the dependence of structural and electronic properties on these parameters are still not truly understood. Structural and electronic configuration dynamics of MoO thin films deposited on metallic Cu and Si wafer are investigated by changing the kinetics of the deposition. Films obtained by Pulsed Laser Deposition and Thermal Evaporation techniques having different kinetic energy ranges are compared. It is shown that the diffusion competition between oxide and metallic elements on the amorphous layer plays a critical role in the formation of vacancies and the ionic redistribution within the junction. It is also shown that the metallic diffusion can be tuned via the interchange between the incident adatoms’ initial kinetic energy and the diffusion time during the post-deposition thermal life cycle. These results help to understand the mechanism of the ionic redistribution and dynamics at the oxide/metal junction, providing a tool for tuning structural and electronic properties.
{"title":"Interplay of deposition kinetics with metal diffusion in MoO3-Cu heterojunctions","authors":"E. Torretti , F. Paparoni , J.D. Cook , A. D’Elia , A. Di Cicco , L. Douillard , M. Faure , A. Marcelli , M. Minicucci , W. O’Neill , E. Rollin , M. Sparkes , B. Spataro , N. Lockwood , S.J. Rezvani","doi":"10.1016/j.apsusc.2025.162680","DOIUrl":"10.1016/j.apsusc.2025.162680","url":null,"abstract":"<div><div>Metal oxide-metal heterojunctions are tunable structural and electronic systems characterised by defect density and diffusion properties. The junction formation’s kinetics and adatoms surface energy affect both nucleation and diffusion processes. The mechanism and the dependence of structural and electronic properties on these parameters are still not truly understood. Structural and electronic configuration dynamics of MoO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> thin films deposited on metallic Cu and Si wafer are investigated by changing the kinetics of the deposition. Films obtained by Pulsed Laser Deposition and Thermal Evaporation techniques having different kinetic energy ranges are compared. It is shown that the diffusion competition between oxide and metallic elements on the amorphous layer plays a critical role in the formation of vacancies and the ionic redistribution within the junction. It is also shown that the metallic diffusion can be tuned via the interchange between the incident adatoms’ initial kinetic energy and the diffusion time during the post-deposition thermal life cycle. These results help to understand the mechanism of the ionic redistribution and dynamics at the oxide/metal junction, providing a tool for tuning structural and electronic properties.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"695 ","pages":"Article 162680"},"PeriodicalIF":6.3,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143518190","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}
Pub Date : 2025-02-27DOI: 10.1016/j.apsusc.2025.162807
Wuyi Gao, Lei Gao, Qiyun Deng, Yufei Xue, Qingyan Li, Jianchen Lu, Jinming Cai
Two-dimensional direct Z-scheme photocatalysts, which emulate natural photosynthetic processes, have shown remarkable success in advancing hydrogen production efficiency for solar-driven water splitting. Herein, based on first-principles calculations, Cu<sub>2</sub>Se/SIn<sub>2</sub>S, Cu<sub>2</sub>Se/SeIn<sub>2</sub>S, and Cu<sub>2</sub>Se/SeIn<sub>2</sub>Se are predicted as efficient Z-scheme photocatalysts for solar-driven water splitting. Owing to possessing a carrier migration mechanism of Z-scheme, HER and OER occur on the Cu<sub>2</sub>Se and XM<sub>2</sub>Y sides of Cu<sub>2</sub>Se/XM<sub>2</sub>Y vdWHs respectively, with enhanced redox capabilities (HER χ(H<sub>2</sub>) and OER χ(O<sub>2</sub>) ranging 0.21–0.32 eV and 0.52–0.83 eV respectively). Benefiting from that the alignment of intrinsic Janus electric field (<em>E</em><sub>Janus</sub>) and interfacial electric field (<em>E</em><sub>in</sub>) enhances carrier utilization, the solar-to-hydrogen efficiencies (<span><span style=""></span><span data-mathml='<math xmlns="http://www.w3.org/1998/Math/MathML"><msub is="true"><mi is="true">η</mi><mrow is="true"><mi mathvariant="normal" is="true">S</mi><mi mathvariant="normal" is="true">T</mi><mi mathvariant="normal" is="true">H</mi></mrow></msub></math>' role="presentation" style="font-size: 90%; display: inline-block; position: relative;" tabindex="0"><svg aria-hidden="true" focusable="false" height="1.855ex" role="img" style="vertical-align: -0.697ex;" viewbox="0 -498.8 2032.6 798.9" width="4.721ex" xmlns:xlink="http://www.w3.org/1999/xlink"><g fill="currentColor" stroke="currentColor" stroke-width="0" transform="matrix(1 0 0 -1 0 0)"><g is="true"><g is="true"><use xlink:href="#MJMATHI-3B7"></use></g><g is="true" transform="translate(497,-155)"><g is="true"><use transform="scale(0.707)" xlink:href="#MJMAIN-53"></use></g><g is="true" transform="translate(393,0)"><use transform="scale(0.707)" xlink:href="#MJMAIN-54"></use></g><g is="true" transform="translate(904,0)"><use transform="scale(0.707)" xlink:href="#MJMAIN-48"></use></g></g></g></g></svg><span role="presentation"><math xmlns="http://www.w3.org/1998/Math/MathML"><msub is="true"><mi is="true">η</mi><mrow is="true"><mi is="true" mathvariant="normal">S</mi><mi is="true" mathvariant="normal">T</mi><mi is="true" mathvariant="normal">H</mi></mrow></msub></math></span></span><script type="math/mml"><math><msub is="true"><mi is="true">η</mi><mrow is="true"><mi mathvariant="normal" is="true">S</mi><mi mathvariant="normal" is="true">T</mi><mi mathvariant="normal" is="true">H</mi></mrow></msub></math></script></span>) of Cu<sub>2</sub>Se/SeIn<sub>2</sub>S (16.29 %) surpasses those of Cu<sub>2</sub>Se/SIn<sub>2</sub>S (14.35 %) and Cu<sub>2</sub>Se/SeIn<sub>2</sub>Se (14.77 %), all of which exceed the critical threshold for economically viable <span><span style=""></span><span data-mathml='<math
{"title":"Cu2Se/SeIn2S van der Waals heterostructure: A direct Z-scheme efficient photocatalyst for solar-driven overall water splitting driven by an enhanced electric field","authors":"Wuyi Gao, Lei Gao, Qiyun Deng, Yufei Xue, Qingyan Li, Jianchen Lu, Jinming Cai","doi":"10.1016/j.apsusc.2025.162807","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162807","url":null,"abstract":"Two-dimensional direct Z-scheme photocatalysts, which emulate natural photosynthetic processes, have shown remarkable success in advancing hydrogen production efficiency for solar-driven water splitting. Herein, based on first-principles calculations, Cu<sub>2</sub>Se/SIn<sub>2</sub>S, Cu<sub>2</sub>Se/SeIn<sub>2</sub>S, and Cu<sub>2</sub>Se/SeIn<sub>2</sub>Se are predicted as efficient Z-scheme photocatalysts for solar-driven water splitting. Owing to possessing a carrier migration mechanism of Z-scheme, HER and OER occur on the Cu<sub>2</sub>Se and XM<sub>2</sub>Y sides of Cu<sub>2</sub>Se/XM<sub>2</sub>Y vdWHs respectively, with enhanced redox capabilities (HER χ(H<sub>2</sub>) and OER χ(O<sub>2</sub>) ranging 0.21–0.32 eV and 0.52–0.83 eV respectively). Benefiting from that the alignment of intrinsic Janus electric field (<em>E</em><sub>Janus</sub>) and interfacial electric field (<em>E</em><sub>in</sub>) enhances carrier utilization, the solar-to-hydrogen efficiencies (<span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub is=\"true\"><mi is=\"true\">&#x3B7;</mi><mrow is=\"true\"><mi mathvariant=\"normal\" is=\"true\">S</mi><mi mathvariant=\"normal\" is=\"true\">T</mi><mi mathvariant=\"normal\" is=\"true\">H</mi></mrow></msub></math>' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"1.855ex\" role=\"img\" style=\"vertical-align: -0.697ex;\" viewbox=\"0 -498.8 2032.6 798.9\" width=\"4.721ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><g is=\"true\"><use xlink:href=\"#MJMATHI-3B7\"></use></g><g is=\"true\" transform=\"translate(497,-155)\"><g is=\"true\"><use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-53\"></use></g><g is=\"true\" transform=\"translate(393,0)\"><use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-54\"></use></g><g is=\"true\" transform=\"translate(904,0)\"><use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-48\"></use></g></g></g></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub is=\"true\"><mi is=\"true\">η</mi><mrow is=\"true\"><mi is=\"true\" mathvariant=\"normal\">S</mi><mi is=\"true\" mathvariant=\"normal\">T</mi><mi is=\"true\" mathvariant=\"normal\">H</mi></mrow></msub></math></span></span><script type=\"math/mml\"><math><msub is=\"true\"><mi is=\"true\">η</mi><mrow is=\"true\"><mi mathvariant=\"normal\" is=\"true\">S</mi><mi mathvariant=\"normal\" is=\"true\">T</mi><mi mathvariant=\"normal\" is=\"true\">H</mi></mrow></msub></math></script></span>) of Cu<sub>2</sub>Se/SeIn<sub>2</sub>S (16.29 %) surpasses those of Cu<sub>2</sub>Se/SIn<sub>2</sub>S (14.35 %) and Cu<sub>2</sub>Se/SeIn<sub>2</sub>Se (14.77 %), all of which exceed the critical threshold for economically viable <span><span style=\"\"></span><span data-mathml='<math ","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"27 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143518194","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}
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