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Theoretical insights into the mechanism of photocatalytic reduction of CO2 over semiconductor catalysts 半导体催化剂上光催化还原CO2机理的理论见解
IF 13.6 1区 化学 Q1 Chemistry Pub Date : 2022-09-01 DOI: 10.1016/j.jphotochemrev.2022.100538
Sajjad Hussain , Yanjie Wang , Lingju Guo , Tao He

Photocatalytic reduction of CO2 is one important approach to alleviate greenhouse gas emission and energy crisis, which has gained huge attention in the past decades. However, the lack of understanding complex reaction mechanism impedes new catalysts design. It is also very difficult to understand the mechanism by using only experimental approaches. For this concern, theoretical calculations can effectively supplement the experimental deficiency and thus play an important role. Recently theoretical calculations have been performed on adsorption, migration and reduction of CO2 molecule on the photocatalyst surface, leading to useful information that have contributed greatly to this field. This review summarizes recent advances in first-principles calculations about CO2 photoreduction over various semiconductor photocatalysts like metal oxides, sulfides and g-C3N4. The methods, models, adsorption and reaction pathways have been discussed in detail. The perspective about future investigation on the photocatalytic reduction of CO2 using first principles calculations is also presented.

光催化还原CO2是缓解温室气体排放和缓解能源危机的重要途径之一,近几十年来受到了广泛关注。然而,缺乏对复杂反应机理的了解,阻碍了新催化剂的设计。仅用实验方法也很难理解其机理。对于这一问题,理论计算可以有效地补充实验的不足,从而发挥重要作用。近年来,人们对CO2分子在光催化剂表面的吸附、迁移和还原进行了理论计算,得到了有用的信息,为这一领域的研究做出了重要贡献。本文综述了金属氧化物、硫化物和g-C3N4等半导体光催化剂上CO2光还原第一性原理计算的最新进展。详细讨论了制备方法、模型、吸附和反应途径。最后对利用第一性原理计算光催化还原CO2的研究进行了展望。
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引用次数: 15
Laser-induced forward-transfer with light possessing orbital angular momentum 具有轨道角动量的光的激光诱导正向转移
IF 13.6 1区 化学 Q1 Chemistry Pub Date : 2022-09-01 DOI: 10.1016/j.jphotochemrev.2022.100535
Takashige Omatsu , Katsuhiko Miyamoto , Ken-Ichi Yuyama , Keisaku Yamane , Ryuji Morita

Helical light fields may carry both orbital angular and spin angular momentum which is respectively associated with their helical wavefronts (optical vortices) and rotating transverse electric fields. Interestingly, these helical light fields interact with materials and the orbital angular momentum of these fields can physically twist a range of materials, including metals, semiconductors, polymers, and liquids. With the aid of spin angular momentum, these fields can also form a range of helical structures. This light-matter interaction based on transfer of angular momentum has the potential to revolutionize industrial processes and enable technologies, such as advanced non-contact and nozzle-free printing. In this review paper, we focus on this printing technique, a process which we herein refer to as optical vortex laser induced forward transfer, and we show how it can be used for the production of next generation printed photonics/electronics/spintronics devices. Herein we review the interactions between the angular momentum of light and materials, and we discuss the ways in which optical vortices can be used to produce a variety of exotic structures. We also discuss the current state-of-the art of laser-induced forward-transfer technologies and detail some of the most novel devices, which have been fabricated using this optical vortex laser induced forward transfer, including hexagonal close-packed photonic-rings and plasmonic nanocores.

螺旋光场可以同时携带轨道角动量和自旋角动量,这两种角动量分别与它们的螺旋波前(光涡旋)和旋转横向电场有关。有趣的是,这些螺旋光场与材料相互作用,这些场的轨道角动量可以物理扭曲一系列材料,包括金属、半导体、聚合物和液体。借助自旋角动量,这些场还可以形成一系列的螺旋结构。这种基于角动量转移的光-物质相互作用有可能彻底改变工业过程和实现技术,例如先进的非接触和无喷嘴印刷。在这篇综述中,我们重点介绍了这种印刷技术,我们在这里称之为光学涡旋激光诱导前向转移,并展示了如何将其用于生产下一代印刷光子/电子/自旋电子器件。本文回顾了光的角动量与材料之间的相互作用,并讨论了利用光涡旋产生各种奇异结构的方法。我们还讨论了当前激光诱导前向转移技术的现状,并详细介绍了一些最新颖的器件,这些器件已经使用这种光学涡旋激光诱导前向转移制造,包括六边形密排光子环和等离子体纳米核。
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引用次数: 7
Beyond green with synthetic chlorophylls – Connecting structural features with spectral properties 超越绿色与合成叶绿素-连接结构特征与光谱特性
IF 13.6 1区 化学 Q1 Chemistry Pub Date : 2022-09-01 DOI: 10.1016/j.jphotochemrev.2022.100513
Masahiko Taniguchi , David F. Bocian , Dewey Holten , Jonathan S. Lindsey

The distinct features of chlorophylls in photosynthesis have led to the formation of numerous derivatives for applications encompassing solar energy conversion, molecular photonics, photodynamic therapy, and molecular imaging. Synthetic chlorins created de novo and bearing a geminal dimethyl group in the reduced ring have proved invaluable for fundamental studies. Four decades of research have led to accumulation of tabulated spectra for > 400 such synthetic chlorins with distinct structural frameworks (17-oxochlorins, 131-oxophorbines, chlorinimides) and substituents (alkyl, aryl, ethynyl, phenylethynyl, acetyl, formyl) located at specific (meso, β) positions. In this review, spectral traces (324 absorption, 247 fluorescence) are assembled along with photophysical data including the molar absorption coefficient (ε), fluorescence quantum yield (Φf) and singlet excited-state lifetime (τs). The review uses the accumulated spectral data derived from chlorins all containing a uniform molecular scaffold to (1) highlight the effects of molecular structure on spectral features, and (2) identify trends including how ε, Φf and τs vary with wavelength and other features. Use of a common geminal-dimethyl-substituted chlorin scaffold – beginning with no substituents, to one substituent at designated sites, and to 2 or more substituents – provides a systematic Aufbau approach for understanding the absorption spectra of chlorins on a path to and beyond the native chlorophylls. The review provides insights concerning the rational design of potent analogues of Nature’s preeminent red-region absorbers for potential utilization in diverse applications and is aimed at multiple audiences: those interested in spectral properties, tetrapyrrole photophysics, and the molecular design of new chromophores.

叶绿素在光合作用中的独特特性导致了其衍生物的大量应用,包括太阳能转换、分子光子学、光动力治疗和分子成像。从头合成并在还原环上带有双甲基的氯被证明对基础研究是无价的。40年的研究积累了> 400种具有不同结构框架(17-氧氯,131-氧芴,氯酰亚胺)和位于特定(中位,β)位置的取代基(烷基,芳基,乙基,苯乙基,乙酰基,甲酰基)的合成氯的制表光谱。在这篇综述中,我们组装了光谱轨迹(324吸收,247荧光)以及光物理数据,包括摩尔吸收系数(ε),荧光量子产率(Φf)和单线态激发态寿命(τs)。本文利用积累的含有统一分子支架的氯的光谱数据(1)强调分子结构对光谱特征的影响,(2)确定ε, Φf和τs随波长和其他特征的变化趋势。使用常见的二甲基取代氯支架-从没有取代基开始,到指定位置的一个取代基,再到2个或更多取代基-为理解氯在通往和超越天然叶绿素的路径上的吸收光谱提供了系统的分析方法。这篇综述提供了关于合理设计自然界卓越的红区吸收剂的有效类似物以用于各种应用的见解,并针对多种受众:对光谱性质,四吡咯光物理和新发色团的分子设计感兴趣的人。
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引用次数: 10
Understanding the complete bioluminescence cycle from a multiscale computational perspective: A review 从多尺度计算的角度理解完整的生物发光周期:综述
IF 13.6 1区 化学 Q1 Chemistry Pub Date : 2022-09-01 DOI: 10.1016/j.jphotochemrev.2022.100537
Ya-Jun Liu

Bioluminescence (BL) is an amazing natural phenomenon whose visible light is produced by living organisms. BL phenomenon is quite pervasive and has been observed in 17 phyla of 4 kingdoms. This fascinating natural phenomenon has unceasingly attracted people’s curiosity from ancient era to today. For a very long time, we can only receive some sporadic and static information from experimental observations, the mechanism of most BL remains is unclear. How the chemical reaction of BL process is initiated? Where the energy for light emission comes from? How does the light emitter produce? What is the light emitter for a wild bioluminescent organism? How to regain luciferin for next bioluminescence when it is used up? The luciferin is utilized forthwith or stored and release for subsequent light emission? What factors affect the color and strength of a bioluminescence? How to artificially tune the bioluminescence for special application? Computational BL plays unreplaceable role in answering these mechanistic questions. In contrast with experimental BL, computational BL came very late. In the past two decades, computational BL has touched nearly all the bioluminescent systems with chemical bases via the method of multiscale simulation. In this review, the author firstly introduced the history, types and general chemical process of BL. Then, the computational scheme on BL was briefly epitomized. Using firefly BL as a paradigmatic case, the author summarized theoretical investigation on the six stages of general chemical process in a BL cycle: luciferin oxidation, peroxide thermolysis, light emission, luciferin regeneration, luciferin storage and luciferin release. At each stage, the available theoretical studies of other bioluminescent organisms are briefly introduced and compared with the firefly system. Basing on the mechanistic understanding, the author reviewed the up-to-date theoretical design on bioluminescent systems. Again, the firefly was mainly focused on, and the other possible systems were just briefly introduced. This review summarized the theoretical studies to date on BL and addressed the status, critical challenges and future prospects of computational BL.

生物发光是一种奇妙的自然现象,它是由生物体产生的可见光。BL现象十分普遍,已在4个界17个门中发现。从古至今,这一迷人的自然现象不断吸引着人们的好奇心。长期以来,我们只能从实验观察中获得一些零星和静态的信息,大多数BL的机制仍然不清楚。BL工艺的化学反应是如何开始的?发光的能量从何而来?光发射器是如何产生的?什么是野生发光生物的发光体?荧光素用完后如何重新获得下一次生物发光?荧光素是立即使用还是储存并释放用于后续的发光?什么因素影响生物发光的颜色和强度?如何人为调节特殊用途的生物发光?计算BL在回答这些机械性问题方面发挥着不可替代的作用。与实验BL相比,计算BL出现得很晚。近二十年来,通过多尺度模拟的方法,计算BL几乎触及了所有含化学碱的生物发光系统。本文首先介绍了BL的历史、类型和一般化学过程,然后简要概述了BL的计算方案。以萤火虫BL为例,对BL循环中荧光素氧化、过氧化物热解、发光、荧光素再生、荧光素储存和荧光素释放六个阶段的一般化学过程进行了理论研究。在每个阶段,简要介绍了其他生物发光系统的现有理论研究,并与萤火虫系统进行了比较。在对生物发光机理认识的基础上,综述了生物发光系统的最新理论设计。同样,主要关注的是萤火虫,其他可能的系统只是简要介绍。本文综述了迄今为止的理论研究成果,并对计算型生物信息学的现状、面临的主要挑战和未来发展前景进行了展望。
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引用次数: 5
Optical trapping in micro- and nanoconfinement systems: Role of thermo-fluid dynamics and applications 微纳米约束系统中的光捕获:热流体动力学的作用及其应用
IF 13.6 1区 化学 Q1 Chemistry Pub Date : 2022-09-01 DOI: 10.1016/j.jphotochemrev.2022.100533
Tetsuro Tsuji , Kentaro Doi , Satoyuki Kawano

In this mini-review, recent advances on the role of a focused laser in micro- and nanofluidic systems is widely introduced with special interest in thermo-fluid dynamical aspects and their importance in optical manipulation. As a brief introduction to microfluidic systems, we describe the advantages and challenges of the use of micro- and nanoscale confinement in optical trapping, as well as standard fabrication techniques for micro- and nanofluidic systems. From thermo-fluid dynamical viewpoints, various phenomena that accompany a laser irradiation to fluidic devices, are explained in detail. These phenomena can affect the optical trapping of target materials significantly, and are classified into two categories: one that induces the fluid flow around the target and another that directly acts on it as an external force. These classes are reviewed by shedding light on some recent cutting-edge researches for optical manipulation. Some applications using thermo-fluid dynamics in microfluidic systems for the measurement of optical forces and for the separation, measurement, and detection of target materials are also introduced.

在这篇简短的综述中,广泛介绍了聚焦激光在微和纳米流体系统中的作用的最新进展,特别关注热流体动力学方面及其在光学操纵中的重要性。作为对微流体系统的简要介绍,我们描述了在光学捕获中使用微和纳米尺度约束的优点和挑战,以及微和纳米流体系统的标准制造技术。从热流体动力学的观点,各种现象伴随激光照射流体装置,详细解释。这些现象可以显著地影响目标材料的光学捕获,并分为两类:一类是诱导流体在目标周围流动,另一类是作为外力直接作用于目标。对这些课程进行了回顾,揭示了一些最新的光学操纵的前沿研究。本文还介绍了热流体动力学在微流体系统中用于光学力测量和目标材料的分离、测量和检测的一些应用。
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引用次数: 2
Nanoscale optical imaging with photoinduced force microscopy in heterodyne amplitude modulation and heterodyne frequency modulation modes 外差调幅和外差调频模式下的光致力显微镜纳米光学成像
IF 13.6 1区 化学 Q1 Chemistry Pub Date : 2022-09-01 DOI: 10.1016/j.jphotochemrev.2022.100532
Junsuke Yamanishi , Yan Jun Li , Yoshitaka Naitoh , Yasuhiro Sugawara

In this review, we introduce the operating principle of photoinduced force microscopy (PiFM) and its applications. First, we introduce that the photoinduced force includes the gradient force and the scattering force. Next, we explain how to eliminate the effects of photothermal effects on the metal tip and sample surface caused by light irradiation. Then, we introduce a PiFM operating in air based on the tapping mode and present images of SiNc clusters. Furthermore, we introduce a PiFM operating in vacuum based on the frequency modulation (FM) mode, and present the results of three-dimensional photo-induced force vector measurements of semiconductor quantum dots.

本文介绍了光致力显微镜(PiFM)的工作原理及其应用。首先,我们介绍了光致力包括梯度力和散射力。接下来,我们解释了如何消除光照射对金属尖端和样品表面的光热效应的影响。然后,我们介绍了一种基于自攻模式的PiFM,并给出了SiNc簇的当前图像。此外,我们还介绍了一种基于调频(FM)模式的真空PiFM,并给出了半导体量子点的三维光致力矢量测量结果。
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引用次数: 4
IFC(EDITORIAL BOARD) 国际金融公司(编辑部)
IF 13.6 1区 化学 Q1 Chemistry Pub Date : 2022-09-01 DOI: 10.1016/S1389-5567(22)00060-0
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引用次数: 0
Optical manipulation with nanoscale chiral fields and related photochemical phenomena 纳米级手性场光学操作及相关光化学现象
IF 13.6 1区 化学 Q1 Chemistry Pub Date : 2022-09-01 DOI: 10.1016/j.jphotochemrev.2022.100531
Hiromi Okamoto

Chiral light-matter interaction occurs when the system consists of the matter and the light has a chiral structure, which is generically called the chiro-optical effect. Circular dichroism and optical rotation are representative spectroscopic methods based on chiro-optical effects. Chiro-optical effects have been widely utilized to detect chiral materials in the system. The chiro-optical effect also has the potential to create chiral materials from achiral materials and chiral optical fields, and to generate chiral optical fields from chiral matter systems. To achieve that, the design and observation of chiral optical field structures are essential. In this article, we describe local chiral optical fields generated in the peripheries of nanomaterials (typically metal nanostructures) irradiated with light. We summarize basic characteristics of nanoscale local chiral optical fields, methods to observe/control the chiral optical field structures at nanomaterials. Then some chemical, optical, and mechanical effects of designed chiral optical fields are described. Chiral nanostructures were created from achiral nanomaterials combined with circularly polarized light. Nucleation of chiral crystals of achiral molecules was achieved by circularly polarized light with the aid of plasmonic materials. Circularly polarized luminescence was observed from achiral fluorescent molecules conjugated with chiral plasmonic nanostructures. On mechanical characteristics, optical forces exerted on chiral materials were found to be dependent on the handedness of incident circularly polarized light, which can be utilized to discriminate the chirality of the material. The concept can be further generalized to the spin-dependent asymmetric light-matter interactions, which will create not only the molecular- and nano-scale chiral structures but also various novel functions of materials that are correlated with the handedness degree of freedom.

当物质与光组成的体系具有手性结构时,就会发生手性光-物质相互作用,这种作用一般称为手性光效应。圆二色性和旋光性是基于手旋光效应的代表性光谱方法。手性光学效应在该系统中被广泛应用于手性材料的检测。手性光效应还具有从非手性材料和手性光场产生手性材料,以及从手性物质体系产生手性光场的潜力。为了实现这一目标,设计和观察手性光场结构是必不可少的。在这篇文章中,我们描述了在受光照射的纳米材料(通常是金属纳米结构)外围产生的局部手性光场。综述了纳米尺度局部手性光场的基本特征,以及在纳米材料上观察/控制手性光场结构的方法。然后描述了所设计的手性光场的一些化学、光学和机械效应。将非手性纳米材料与圆偏振光相结合,制备了手性纳米结构。利用圆偏振光和等离子体材料实现了非手性分子的手性结晶成核。用手性等离子体纳米结构偶联的非手性荧光分子观察到圆偏振发光。在机械特性上,发现施加在手性材料上的光力依赖于入射圆偏振光的手性,这可以用来区分材料的手性。这个概念可以进一步推广到自旋依赖的不对称光物质相互作用,这不仅会产生分子和纳米尺度的手性结构,而且还会产生与手性自由度相关的材料的各种新功能。
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引用次数: 0
Manipulation of nucleation and polymorphism by laser irradiation 激光辐照对成核和多态的影响
IF 13.6 1区 化学 Q1 Chemistry Pub Date : 2022-09-01 DOI: 10.1016/j.jphotochemrev.2022.100530
Teruki Sugiyama , Shun-Fa Wang

Recently, laser-induced nucleation (LIN) has been attracting significant attention because of its many advantages, including non-mechanical contact, spatiotemporal controllability, and high nucleation probability. Consequently, there is a high demand for precise control methods for polymorphism, particularly in the pharmaceutical industry. The precise control of nucleation and polymorphism, as well as the expansion of their versatility, is indispensable in elucidating the mechanism of nucleation and polymorphism. If LIN can be exploited to precisely control polymorphism, it will be possible to appropriately control the solubility, bioavailability, and stability of targets. Currently, numerous mechanisms for LIN involving targets, solvents, laser light sources, and additives have been proposed. In this review, the authors summarize the history and current state of the research on nucleation and LIN-controlled polymorphism reported over the past two decades while focusing on the different light sources (pulsed laser vs. continuous-wave laser). Furthermore, the authors introduce the classical nucleation and two-step nucleation models and discuss the similarities and differences in the mechanisms of nucleation and polymorphism control based on these two models.

近年来,激光诱导成核(LIN)因其非机械接触、时空可控性和高成核概率等优点而受到广泛关注。因此,对多态性的精确控制方法有很高的需求,特别是在制药行业。对成核和多晶的精确控制及其通用性的拓展,是阐明成核和多晶机理的必要条件。如果LIN能够精确地控制多态性,将有可能适当地控制靶点的溶解度、生物利用度和稳定性。目前,人们提出了许多LIN的机制,包括靶标、溶剂、激光光源和添加剂。本文综述了近二十年来在不同光源(脉冲激光和连续波激光)下,晶核和lin控制多态性研究的历史和现状。此外,作者还介绍了经典成核和两步成核模型,并讨论了基于这两种模型的成核机制和多态性控制的异同。
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引用次数: 7
Two-dimensional materials toward Terahertz optoelectronic device applications 二维材料在太赫兹光电器件中的应用
IF 13.6 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2022-06-01 DOI: 10.1016/j.jphotochemrev.2021.100473
Zhe Shi , He Zhang , Karim Khan , Rui Cao , Ye Zhang , Chunyang Ma , Ayesha Khan Tareen , Yuanfei Jiang , Mingxing Jin , Han Zhang

Two-dimensional (2D) materials have become a worldwide hot topic due to their fascinating properties, including high carrier mobility, tunable bandgap, ultra-broadband optical absorption and response. The versatility of 2D materials enable it hold great potential to achieve high performance Terahertz (THz) optoelectronic devices. However, the THz radiation, range from infrared to microwave, known as the THz gap, much less investigated than that of other electromagnetic wave. Motivated by this lack of knowledge, we reviewed the recent advances of research into 2D materials based THz optoelectronic devices. Firstly, we introduced the background and motivation of this review. Then, the suitable 2D material candidates are exhibited, followed by a comprehensive review of their applications in THz generation devices, modulator, THz shielding, and photodetectors. Finally, the challenges and further development directions are concluded. We believe that some milestone investigations of 2D materials based THz optoelectronic devices will emerge soon, which will bring about great industrial revelations in 2D materials-based nanodevice commercialization.

二维(2D)材料由于其具有高载流子迁移率、可调带隙、超宽带光吸收和响应等令人着迷的特性而成为世界范围内的热门话题。二维材料的多功能性使其具有实现高性能太赫兹(THz)光电器件的巨大潜力。然而,太赫兹辐射的范围从红外到微波,被称为太赫兹间隙,比其他电磁波的研究要少得多。由于这种知识的缺乏,我们回顾了基于二维材料的太赫兹光电器件的最新研究进展。首先,我们介绍了本文的研究背景和动机。然后,展示了合适的2D候选材料,然后全面回顾了它们在太赫兹产生器件、调制器、太赫兹屏蔽和光电探测器中的应用。最后,总结了面临的挑战和进一步的发展方向。我们相信,一些基于二维材料的太赫兹光电子器件的里程碑式研究将很快出现,这将为基于二维材料的纳米器件的商业化带来巨大的工业启示。
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引用次数: 27
期刊
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