Crystal Growth & Design最新文献

{"title":"Structural Integrities of Symmetric and Unsymmetric <i>trans</i>-Bis-pyridyl Ethylene Powders Exposed to Gamma Radiation: Packing and Electronic Considerations Assisted by Electron Diffraction.","authors":"Samantha J Kruse, Pierre Le Magueres, Eric W Reinheimer, Tori Z Forbes, Leonard R MacGillivray","doi":"10.1021/acs.cgd.4c00895","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00895","url":null,"abstract":"<p><p>Radiation detection (dosimetry) most commonly uses scintillating materials in a wide array of fields, ranging from energy to medicine. Scintillators must be able to not only fluoresce owing to the presence of a suitable chromophore but also withstand damage from radiation over prolonged periods of time. While it is inevitable that radiation will cause damage to the physical and chemical properties of materials, there is limited understanding of features within solid-state scintillators that afford increased structural integrity upon exposure to gamma (γ) radiation. Even fewer studies have evaluated both physical- and atomistic-level properties of organic solid-state materials. Previous work demonstrated cocrystalline materials afford radiation resistance in comparison to the single component counterparts, as realized by <i>trans</i>-1,2-bis(4-pyridyl)ethylene (<b>4,4'-bpe</b>). To support the rational design of radiation-resistant scintillators, we have examined all symmetric and unsymmetric isomers of <i>trans</i>-1-(<i>n</i>-pyridyl)2-(<i>m</i>-pyridyl)ethylene (<i>n,m</i>'<i>-</i>bpe, where <i>n</i> and/or <i>m</i> = 2, 3, or 4) solid-state crystalline materials. Experimental methods employed include single-crystal, powder, and electron diffraction as well as solid-state fluorimetry. Periodic density functional theory (DFT) calculations were used to understand the atomistic-level differences in bond lengths, bond orders, and packing. Electron diffraction was also utilized to determine the structure of a nanocrystalline sample. The results provide insights into possible trends involving factors such as molecular symmetry which provides radiation resistance as well as information for rationally designing single and multicomponent scintillators with the intent of minimizing changes upon γ-radiation exposure.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"24 21","pages":"8899-8906"},"PeriodicalIF":3.2,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11555655/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142611220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"On the Design of the Metal-Support Interface in Methanol Electrocatalytic Oxidation.","authors":"Bartłomiej M Szyja, Joanna Zasada","doi":"10.1021/acs.cgd.3c01466","DOIUrl":"https://doi.org/10.1021/acs.cgd.3c01466","url":null,"abstract":"<p><p>In this work, we present a theoretical investigation of the SrTiO₃ perovskite-supported Pd catalyst in the methanol electro-oxidation reaction. In order to determine the metal-support interactions, we designed a system consisting of a Pd (100) double layer supported on one of the two possible terminations of the (100) perovskite surface. These terminations are characterized by different reducibilities of the layers directly interacting with the Pd bilayer and result in the difference in the stability of the surface-bound intermediates. Despite the fact that the Pd surface is identical in terms of geometry, we observed significant differences in the overpotential required for the reaction; in the case of TiO₂ termination, the overpotential has been determined to be 0.68 V, while in the case of SrO termination, it amounts to as much as 1.35 V. We further investigate the charge transfers within the components of the system and the geometries of the intermediates to unravel the role of the electron structure on the overall efficiency of the process.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"24 21","pages":"8709-8718"},"PeriodicalIF":3.2,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11544584/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142612704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A [Mn₈] Defective Supertetrahedron T3 and Its Dimeric [Mn₁₆] Analogue.","authors":"Antonis Anastassiades, Dimitris I Alexandropoulos, Ashlyn Hale, George Christou, Spyros P Perlepes, Anastasios J Tasiopoulos","doi":"10.1021/acs.cgd.4c01100","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01100","url":null,"abstract":"<p><p>The initial use of 2-(pyridin-2-yl)propane-1,3-diol (pypdH₂) in Mn cluster chemistry has afforded two new mixed-valence polynuclear Mn clusters, namely, [Mn₈Ο₅(pypd)(hmp)₃(O₂CCMe₃)₈] (<b>1</b>) and [Mn₁₆Ο₁₀(N₃)₂(pypd)₂{(py)₂CO₂}₄(O₂CEt)₁₂] (<b>2</b>) (hmp^- = deprotonated 2-hydroxymethylpyridine; (py)₂CO₂ ^2- = deprotonated gem-diol form of di-2-pyridyl ketone). Compound <b>1</b> features a novel [Mn^III ₇Mn^II(μ₄-O)₂(μ₃-O)₃(μ-OR)₅]⁸⁺ structural core resembling a supertetrahedron T3, lacking two apexes, while complex <b>2</b> has a [Mn^III ₁₄Mn^II ₂(μ₄-O)₄(μ₃-O)₆(μ-N₃)₂(μ₃-OR)₂(μ-OR)₈]¹⁴⁺ core consisting of two [Mn₈] subunits related to <b>1</b> and thus is a dimeric analogue of <b>1</b>. Direct current (dc) magnetic susceptibility studies revealed the presence of dominant antiferromagentic exchange interactions between the Mn ions in complexes <b>1</b> and <b>2</b> and small ground state spin values for both compounds. Overall, this work highlights the capability of polyol-like chelates like pypdH₂ to stabilize high nuclearity 3d metal clusters based on polynuclear building blocks.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"24 21","pages":"9076-9083"},"PeriodicalIF":3.2,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11555654/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142612702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Editorial: Third Quarter 2024 IEEE Communications Surveys and Tutorials","authors":"Dusit Niyato","doi":"10.1109/COMST.2024.3430588","DOIUrl":"https://doi.org/10.1109/COMST.2024.3430588","url":null,"abstract":"I welcome you to the third issue of the IEEE Communications Surveys and Tutorials in 2024. This issue includes 19 papers covering different aspects of communication networks. In particular, these articles survey and tutor various issues in “Wireless Communications”, “Cyber Security”, “Network Virtualization”, “Vehicular and Sensor Communications”, “Multimedia Communications”, “Network and Service Management and Green Communications”, and “Internet Technologies”. A brief account of each of these papers is given below.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 3","pages":"i-vii"},"PeriodicalIF":34.4,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ieeexplore.ieee.org/stamp/stamp.jsp?tp=&arnumber=10643728","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142041438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evolution of RAN Architectures Toward 6G: Motivation, Development, and Enabling Technologies","authors":"Jiacheng Chen;Xiaohu Liang;Jianzhe Xue;Yu Sun;Haibo Zhou;Xuemin Shen","doi":"10.1109/COMST.2024.3388511","DOIUrl":"10.1109/COMST.2024.3388511","url":null,"abstract":"In this survey paper, we first provide insights on the evolution of radio access networks (RANs) through investigating the existing paradigms and future trends towards 6G. We then present the fully-decoupled RAN (FD-RAN), which aligns with the trends by integrating existing paradigms and introducing new features such as physical decoupling of uplink and downlink base stations. We also discuss the key technologies enabled by different architectures for further performance improvement and some open issues. We hope that this survey can stimulate more in-depth research on transforming 6G RAN so as to unleash the power of state-of-the-art technologies and meet higher performance requirements in the future.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 3","pages":"1950-1988"},"PeriodicalIF":34.4,"publicationDate":"2024-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140556972","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Human-Centric Metaverse Enabled by Brain-Computer Interface: A Survey","authors":"Howe Yuan Zhu;Nguyen Quang Hieu;Dinh Thai Hoang;Diep N. Nguyen;Chin-Teng Lin","doi":"10.1109/COMST.2024.3387124","DOIUrl":"10.1109/COMST.2024.3387124","url":null,"abstract":"The growing interest in the Metaverse has generated momentum for members of academia and industry to innovate toward realizing the Metaverse world. The Metaverse is a unique, continuous, and shared virtual world where humans embody a digital form within an online platform. Through a digital avatar, Metaverse users should have a perceptual presence within the environment and can interact and control the virtual world around them. Thus, a human-centric design is a crucial element of the Metaverse. The human users are not only the central entity but also the source of multi-sensory data that can be used to enrich the Metaverse ecosystem. In this survey, we study the potential applications of Brain-Computer Interface (BCI) technologies that can enhance the experience of Metaverse users. By directly communicating with the human brain, the most complex organ in the human body, BCI technologies hold the potential for the most intuitive human-machine system operating at the speed of thought. BCI technologies can enable various innovative applications for the Metaverse through this neural pathway, such as user cognitive state monitoring, digital avatar control, virtual interactions, and imagined speech communications. This survey first outlines the fundamental background of the Metaverse and BCI technologies. We then discuss the current challenges of the Metaverse that can potentially be addressed by BCI, such as motion sickness when users experience virtual environments or the negative emotional states of users in immersive virtual applications. After that, we propose and discuss a new research direction called Human Digital Twin, in which digital twins can create an intelligent and interactable avatar from the user’s brain signals. We also present the challenges and potential solutions in synchronizing and communicating between virtual and physical entities in the Metaverse. Finally, we highlight the challenges, open issues, and future research directions for BCI-enabled Metaverse systems.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 3","pages":"2120-2145"},"PeriodicalIF":34.4,"publicationDate":"2024-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ieeexplore.ieee.org/stamp/stamp.jsp?tp=&arnumber=10496440","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140545115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Wireless Access for V2X Communications: Research, Challenges and Opportunities","authors":"Joseph Clancy;Darragh Mullins;Brian Deegan;Jonathan Horgan;Enda Ward;Ciarán Eising;Patrick Denny;Edward Jones;Martin Glavin","doi":"10.1109/COMST.2024.3384132","DOIUrl":"10.1109/COMST.2024.3384132","url":null,"abstract":"Autonomous vehicles and Intelligent Transport Systems (ITS) have started to become a reality in recent years. However, shortcomings of these early intelligent vehicles demonstrate a need to increase an intelligent vehicle’s perceptual bubble beyond the vehicle’s onboard sensors. Vehicle-to-Everything (V2X) communications is a technology intended to enable intelligent vehicles to increase their perceptive range via communication with the outside world, i.e., other vehicles, road users, and infrastructure. One of the critical layers of V2X communications is that of the underlying wireless access. There remains an open debate on which technology (or technologies) will ultimately be adopted as the de facto wireless access technology for V2X communications. Presently, a myriad of unconnected threads of work are being undertaken to this end, resulting in an unclear picture of the current state of wireless access for V2X communications. In this tutorial review, we collate current research on wireless access for V2X communications to showcase recent developments and the challenges facing candidate technologies. To allow the reader to engage with the debate, we present an overview of the field of V2X communications, its history, and standardisation. Following this, we provide an overview of the key candidate wireless access technologies that may enable V2X communications. Through this work, we aim to provide a comprehensive first step into the discipline of wireless access for V2X communications.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 3","pages":"2082-2119"},"PeriodicalIF":34.4,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140340576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Beam Alignment in mmWave V2X Communications: A Survey","authors":"Jingru Tan;Tom H. Luan;Wenbo Guan;Yuntao Wang;Haixia Peng;Yao Zhang;Dongmei Zhao;Ning Lu","doi":"10.1109/COMST.2024.3383093","DOIUrl":"10.1109/COMST.2024.3383093","url":null,"abstract":"The digital transformation within the automotive industry is accelerating towards an era dominated by autonomous vehicles, with vehicle-to-everything (V2X) communications being a fundamental enabler for this advancement. As vehicular networks evolve to meet the complex demands of autonomous driving, traditional communication systems encounter limitations in bandwidth and data transfer rates. Millimeter-wave (mmWave) communication emerges as a pivotal solution, offering the extensive bandwidth required for the high data throughput and low latency essential in modern vehicular communications. However, challenges loom, with beam alignment in mmWave V2X becoming a time-consuming process and the mmWave’s blockage effect impeding consistent and reliable vehicular communication links. Therefore, the development of efficient, real-time, and robust beam alignment technology is crucial for mmWave V2X communication. In this paper, we present a comprehensive survey of beam alignment techniques in mmWave V2X communication. We explore various approaches including beam sweeping, angle of arrival (AoA)/angle of direction (AoD) estimation, black-box optimization, and side information. Subsequently, we introduce performance metrics for assessing beam alignment performance and compare the performance of four beam alignment methods under different metrics. Finally, we summarize the future research directions and challenges faced by beam alignment techniques in mmWave V2X communication, offering valuable insights for researchers in this field.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 3","pages":"1676-1709"},"PeriodicalIF":34.4,"publicationDate":"2024-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140329103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Two Decades of Research Progress in Resource Allocation for PLC Systems: From Core Concepts to Frontiers","authors":"Yan F. Coutinho;ândrei Camponogara;Mateus de L. Filomeno;Marcello L. R. de Campos;Andrea M. Tonello;Moisés V. Ribeiro","doi":"10.1109/COMST.2024.3380901","DOIUrl":"10.1109/COMST.2024.3380901","url":null,"abstract":"In this paper, we review the current state-of-the-art of resource allocation for power line communication systems. The study systematically presents the advancements achieved in this field over the past decades. To achieve this, we adopt two complementary perspectives: a power line communication-centric view and an optimization-centric view. The former highlights resource allocation within the eye of the power line communication community, while the latter emphasizes optimization principles, focusing on the technical aspects of resource allocation. Subsequently, we meticulously present the progress made in both single- and multi-user scenarios, employing a chronological approach to provide readers with a coherent narrative of the evolution and important findings. Furthermore, we accentuate critical insights and valuable lessons gathered from these developments. In conclusion, we explore future trends and prospects within the scope of resource allocation for power line communication systems, intending to inspire research initiatives that push the boundaries beyond the existing state-of-the-art.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 3","pages":"1710-1747"},"PeriodicalIF":34.4,"publicationDate":"2024-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140291467","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Editorial: Second Quarter 2024 IEEE Communications Surveys and Tutorials","authors":"Dusit Niyato","doi":"10.1109/COMST.2024.3396689","DOIUrl":"https://doi.org/10.1109/COMST.2024.3396689","url":null,"abstract":"I welcome you to the second issue of the IEEE Communications Surveys and Tutorials in 2024. This issue includes 18 articles covering different aspects of communication networks. In particular, these articles survey and tutor various issues in “Wireless Communications”, “Cyber Security”, “IoT and M2M”, “Internet Technologies”, “Network Virtualization” and “Optical Communications”. A brief account for each of these articles is given below.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 2","pages":"i-vi"},"PeriodicalIF":35.6,"publicationDate":"2024-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ieeexplore.ieee.org/stamp/stamp.jsp?tp=&arnumber=10536696","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141084863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}