Journal of Physics-Energy最新文献_第8页

Photocatalytic and thermoelectric performance of asymmetrical two-dimensional Janus aluminum chalcogenides 不对称二维两面铝硫族化合物的光催化和热电性能

IF 6.9 3区材料科学

Journal of Physics-Energy Pub Date : 2023-07-01 DOI: 10.1088/2515-7655/ace07c

Z. Haman, M. Kibbou, N. Khossossi, Soukaina Bahti, P. Dey, I. Essaoudi, R. Ahuja, A. Ainane

{"title":"Photocatalytic and thermoelectric performance of asymmetrical two-dimensional Janus aluminum chalcogenides","authors":"Z. Haman, M. Kibbou, N. Khossossi, Soukaina Bahti, P. Dey, I. Essaoudi, R. Ahuja, A. Ainane","doi":"10.1088/2515-7655/ace07c","DOIUrl":"https://doi.org/10.1088/2515-7655/ace07c","url":null,"abstract":"Through a density functional theory-driven survey, a comprehensive investigation of two-dimensional (2D) Janus aluminum-based monochalcogenides (Al2XY with X/Y = S, Se, and Te) has been performed within this study. To begin with, it is established that the examined phase, in which the Al-atoms are located at the two inner planes while the (S, Se, and Te)-atoms occupy the two outer planes in the unit cell, are energetically, mechanically, dynamically, and thermally stable. To address the electronic and optical properties, the hybrid function HSE06 has been employed. It is at first revealed that all three monolayers display a semiconducting nature with an indirect band gap ranging from 1.82 to 2.79 eV with a refractive index greater than 1.5, which implies that they would be transparent materials. Furthermore, the monolayers feature strong absorption spectra of around 105 cm−1 within the visible and ultraviolet regions, suggesting their potential use in optoelectronic devices. Concerning the photocatalytic performance, the conduction band-edge positions straddle the hydrogen evolution reaction redox level. Also, it is observed that the computed Gibbs free energy is around 1.15 eV, which is lower and comparable to some recently reported 2D-based Janus monolayers. Additionally, the thermoelectric properties are further investigated and found to offer a large thermal power as well as a high figure of merit (ZT) around 1.03. The aforementioned results strongly suggest that the 2D Janus Al-based monochalcogenide exhibits suitable characteristics as a potential material for high-performance optoelectronic and thermoelectric applications.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":" ","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41523231","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}

引用次数: 0

Ink engineering for slot-die coated perovskite solar cells and minimodules 槽型涂覆钙钛矿太阳能电池和微型组件的油墨工程

IF 6.9 3区材料科学

Journal of Physics-Energy Pub Date : 2023-07-01 DOI: 10.1088/2515-7655/ace12c

Bowei Li, Wei Zhang

引用次数: 0

Exploring battery cathode materials in the Li-Ni-O phase diagrams using structure prediction 利用结构预测在Li-Ni-O相图中探索电池正极材料

IF 6.9 3区材料科学

Journal of Physics-Energy Pub Date : 2023-06-28 DOI: 10.1088/2515-7655/acdd9c

J. Cen, Bonan Zhu, D. Scanlon

引用次数: 1

Sorption-enhanced steam reforming of toluene using multifunctional perovskite phase transition sorbents in a chemical looping scheme 多功能钙钛矿相变吸附剂在化学循环方案中对甲苯的吸附增强水蒸气重整

IF 6.9 3区材料科学

Journal of Physics-Energy Pub Date : 2023-06-14 DOI: 10.1088/2515-7655/acdbe9

Leo Brody, Mahe Rukh, R. Cai, Azin Saberi Bosari, R. Schomäcker, Fanxing Li

{"title":"Sorption-enhanced steam reforming of toluene using multifunctional perovskite phase transition sorbents in a chemical looping scheme","authors":"Leo Brody, Mahe Rukh, R. Cai, Azin Saberi Bosari, R. Schomäcker, Fanxing Li","doi":"10.1088/2515-7655/acdbe9","DOIUrl":"https://doi.org/10.1088/2515-7655/acdbe9","url":null,"abstract":"Sorption-enhanced steam reforming (SESR) of toluene (SESRT) using catalytic CO2 sorbents is a promising route to convert the aromatic tar byproducts formed in lignocellulosic biomass gasification into hydrogen (H2) or H2-rich syngas. Commonly used sorbents such as CaO are effective in capturing CO2 initially but are prone to lose their sorption capacity over repeated cycles due to sintering at high temperatures. Herein, we present a demonstration of SESRT using A- and B-site doped Sr1−x A’ x Fe1−y B’ y O3−δ (A’ = Ba, Ca; B’ = Co) perovskites in a chemical looping scheme. We found that surface impregnation of 5–10 mol% Ni on the perovskite was effective in improving toluene conversion. However, upon cycling, the impregnated Ni tends to migrate into the bulk and lose activity. This prompted the adoption of a dual bed configuration using a pre-bed of NiO/γ–Al2O3 catalyst upstream of the sorbent. A comparison is made between isothermal operation and a more traditional temperature-swing mode, where for the latter, an average sorption capacity of ∼38% was witnessed over five SESR cycles with H2-rich product syngas evidenced by a ratio of H2: CO x > 4.0. XRD analysis of fresh and cycled samples of Sr0.25Ba0.75Fe0.375Co0.625O3-δ reveal that this material is an effective phase transition sorbent—capable of cyclically capturing and releasing CO2 without irreversible phase changes occurring.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":" ","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44496754","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}

引用次数: 0

Emergent evolution of first-order phase transitions from magneto-structural to magneto-elastic in MnCo1−y Fe y Ge1−x Si x alloys MnCo1−y Fe y Ge1−x Si x合金中从磁结构到磁弹性一级相变的涌现演化

IF 6.9 3区材料科学

Journal of Physics-Energy Pub Date : 2023-06-14 DOI: 10.1088/2515-7655/acd8ef

Yong Li, Xinyue Ye, Lingwei Li, Enke Liu

{"title":"Emergent evolution of first-order phase transitions from magneto-structural to magneto-elastic in MnCo1−y Fe y Ge1−x Si x alloys","authors":"Yong Li, Xinyue Ye, Lingwei Li, Enke Liu","doi":"10.1088/2515-7655/acd8ef","DOIUrl":"https://doi.org/10.1088/2515-7655/acd8ef","url":null,"abstract":"The emergent evolution of first-order phase transitions from magneto-structural to magneto-elastic and magnetocaloric effect (MCE) have been investigated by X-ray diffraction, differential scanning calorimetry and magnetization measurements. Applying the isostructural alloying principle, the martensitic transition temperature (T M) increases effectively and the Curie temperatures of the two phases increase slightly by substituting the Si content (x). With an appropriate amount of Fe and Si content, an emergent first-order antiferromagnetic–ferromagnetic magnetoelastic transition with thermal hysteresis in the martensitic state occurs for MnCo0.7Fe0.3Ge1–x Si x (x = 0.15–0.40) alloys, which results from the decrease in the nearest-neighbor Mn–Mn distance. Moreover, the values of magnetic entropy change (ΔS M), refrigeration capacity (RC) and temperature-averaged entropy change (TEC, 10 K) with ΔH = 50 kOe reach −12.2 J kg−1 K−1, 112.8 J kg−1 and 11.4 J kg−1 K−1 for MnCo0.7Fe0.3Ge0.8Si0.2 undergoing the ferromagnetic magneto-structural transition in the Curie temperature window. The results facilitate the magnetocaloric/magnetoelastic performance and tunability of multiple phase states in a wider temperature range.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":" ","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45806358","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}

引用次数: 0

Large conventional and inverse electrocaloric effects in PbMg0.5W0.5O3 multilayer capacitors above and below the Néel temperature PbMg0.5W0.5O3多层电容器在nsamel温度上下存在较大的常规和反热效应

IF 6.9 3区材料科学

Journal of Physics-Energy Pub Date : 2023-06-07 DOI: 10.1088/2515-7655/acdc53

S. Hirose, T. Usui, T. Hiroto, B. Nair, X. Moya, N. Mathur

引用次数: 0

Elucidating the local structure of V substitutes in In2S3 as potential intermediate band material by x-ray absorption spectroscopy and first principles calculations 用x射线吸收光谱和第一性原理计算阐明In2S3中V取代物的局域结构

IF 6.9 3区材料科学

Journal of Physics-Energy Pub Date : 2023-05-26 DOI: 10.1088/2515-7655/acd95b

E. Ghorbani, M. Schiller, Hans H. Falk, Leonard A. Wägele, S. Eckner, F. d’Acapito, R. Scheer, K. Albe, C. Schnohr

{"title":"Elucidating the local structure of V substitutes in In2S3 as potential intermediate band material by x-ray absorption spectroscopy and first principles calculations","authors":"E. Ghorbani, M. Schiller, Hans H. Falk, Leonard A. Wägele, S. Eckner, F. d’Acapito, R. Scheer, K. Albe, C. Schnohr","doi":"10.1088/2515-7655/acd95b","DOIUrl":"https://doi.org/10.1088/2515-7655/acd95b","url":null,"abstract":"Vanadium doped indium sulphide, In2S3:V, is studied as a potential absorber material for intermediate band (IB) solar cells. Based on electronic considerations, it is usually assumed that V occupies octahedrally coordinated In sites, although geometrical considerations would favour tetrahedral In sites. In this study, we therefore combined experimental x-ray diffraction and x-ray absorption spectroscopy with ab initio theoretical calculations of both α and β phase to elucidate the incorporation of V in In2S3:V thin films grown with different V content and different growth temperatures. Comparing shape and position of the measured and calculated x-ray absorption edge of V, comparing experimentally determined and calculated V–S bond lengths, and evaluating the calculated heat of solution of V on different lattice sites all indicate that V is incorporated on octahedral rather than tetrahedral sites in the In2S3 matrix. For this material system, the electronic benefit of octahedral coordination thus outweighs the mechanical stress of the associated lattice relaxation. Finally, we studied the electronic structure of V-substituted α - In2S3 using hybrid density functional calculations and find that for a concentration of 1.9 at %, V on octahedrally coordinated In sites forms an empty IB isolated from valence band and conduction band (CB). By increasing the V content to 3.8 at %, however, the gap between IB and CB closes, which results in a reduction of the band gap. This differs from the electronic structure calculated for β - In2S3 :V and clearly demonstrates that both crystal structure and V incorporation site affect the resulting electronic material properties.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":" ","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48698166","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}

引用次数: 0

Influence of domain walls and defects on the electrocaloric effect 畴壁和缺陷对电热效应的影响

IF 6.9 3区材料科学

Journal of Physics-Energy Pub Date : 2023-05-24 DOI: 10.1088/2515-7655/acd86f

A. Grünebohm, Sheng-Han Teng, M. Marathe

引用次数: 0

Rapid solidified ductile Cu-Al-Mn ribbon and its elastocaloric potential 快速凝固韧性Cu-Al-Mn带及其弹性热势

IF 6.9 3区材料科学

Journal of Physics-Energy Pub Date : 2023-05-22 DOI: 10.1088/2515-7655/acd7a2

G. Ouyang, Chaochao Pan, Benjamin Hilliard, Agata Czernuszewicz, J. Slaughter, Jun Cui

引用次数: 0

Role of Fe in the hydrogen oxidation reaction in a NiFe-based catalyst: an in situ Mössbauer spectroscopic investigation Fe在NiFe基催化剂氢氧化反应中的作用：原位穆斯堡尔谱研究

IF 6.9 3区材料科学

Journal of Physics-Energy Pub Date : 2023-05-17 DOI: 10.1088/2515-7655/acd661

Lingmei Ni, E. Davydova, Ramesh K. Singh, Lubov Kolik-Shmuel, Dario R. Dekel, U. Kramm

引用次数: 0