Crystal Growth & Design最新文献

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Side-Chain Engineering for Modulating Fluorescence and Mechanical Properties of Single Crystals 单晶荧光调制与力学性能的侧链工程
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-01 DOI: 10.1021/acs.cgd.5c00548
Jianmin Zhou, Yingzi Zheng, Shi Tang, Yuhan Yang, Zhonghua Li*, Songgu Wu and Junbo Gong, 
{"title":"Side-Chain Engineering for Modulating Fluorescence and Mechanical Properties of Single Crystals","authors":"Jianmin Zhou,&nbsp;Yingzi Zheng,&nbsp;Shi Tang,&nbsp;Yuhan Yang,&nbsp;Zhonghua Li*,&nbsp;Songgu Wu and Junbo Gong,&nbsp;","doi":"10.1021/acs.cgd.5c00548","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00548","url":null,"abstract":"<p >Molecular engineering of organic single crystals via minimal structural modification remains a key challenge in the development of multifunctional crystalline materials. A side-chain engineering strategy is reported for simultaneously regulating optical emission and mechanical adaptability in acetophenone derivatives: 2′-hydroxy-5′-methylacetophenone (HMAP) and 2′-hydroxy-5′-methoxyacetophenone (HMOAP). This approach enables unprecedented molecular-level control, facilitating concurrent modulation of optical emission with a notable shift (Δλ = 47 nm) through single substituent variation. Specifically, the fluorescence exhibits a notable blue shift from 552 nm (yellow, HMAP) to 505 nm (green, HMOAP). Distinct mechanical properties have been achieved, and HMAP single crystals exhibited two-dimensional plastic deformation when subjected to external force, whereas the elongated plate-like single crystals of HMOAP demonstrated two-dimensional elastic deformation under mechanical force, with elastic strains reaching up to 4.9% and 14.3%, respectively. Beyond their elastic limits, they experience permanent plastic deformation. Our findings establish a viable strategy for expanding the organic flexible single crystal system, enabling easy modulation of the single crystal properties.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7466–7472"},"PeriodicalIF":3.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094239","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}
引用次数: 0
LaFe1–xNixO3−δ Preparation via Molten Salt Synthesis and Application in Limiting Current Oxygen Sensors 熔盐法制备LaFe1-xNixO3−δ及其在极限电流氧传感器中的应用
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-01 DOI: 10.1021/acs.cgd.5c01022
Junbo Long, Liang Wang, Jinlian Li, Xiaofang Zhang*, Jiegang You*, Qiying Zhang, Jiankang Wu, Junjie Shi and Xiaoshuang Guo, 
{"title":"LaFe1–xNixO3−δ Preparation via Molten Salt Synthesis and Application in Limiting Current Oxygen Sensors","authors":"Junbo Long,&nbsp;Liang Wang,&nbsp;Jinlian Li,&nbsp;Xiaofang Zhang*,&nbsp;Jiegang You*,&nbsp;Qiying Zhang,&nbsp;Jiankang Wu,&nbsp;Junjie Shi and Xiaoshuang Guo,&nbsp;","doi":"10.1021/acs.cgd.5c01022","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c01022","url":null,"abstract":"<p >LaFe<sub>1–<i>x</i></sub>Ni<sub><i>x</i></sub>O<sub>3−δ</sub> (<i>x</i> = 0–0.5) mixed conductor materials were synthesized using molten salt synthesis with NaCl–KCl composite molten salt. The crystal structure, microstructure, reaction mechanism, and electronic conductivity were systematically investigated. XRD analysis confirms the formation of an orthorhombic perovskite phase. SEM revealed that the grains exhibit a regular tetragonal morphology. Electronic conductivity analysis reveals that the electronic conductivities of all samples meet the linear relationship with 1000/<i>T</i> at 650–830 °C. The composition with a Ni element doping concentration of <i>x</i> = 0.3 exhibits higher electronic conductivity. The limiting current oxygen sensor was fabricated using LaFe<sub>0.7</sub>Ni<sub>0.3</sub>O<sub>3−δ</sub> as a dense diffusion barrier and 8 mol % yttria-stabilized zirconia (8YSZ) as the solid electrolyte assembled by the Pt sintered-paste method. The sensor exhibited stable operation at 760–850 °C and provided a 1–14 mol % oxygen measuring range. The oxygen sensor demonstrated excellent stability in limiting current and response time during 120 h of continuous operation at 850 °C.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7817–7827"},"PeriodicalIF":3.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094498","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}
引用次数: 0
Intercomponent Interactions in Crown Ether Rotaxanes: The Energetic Influence of Charge 冠醚轮烷的组分间相互作用:电荷的能量影响
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-08-30 DOI: 10.1021/acs.cgd.5c00958
Paloma N. Oliveira, Gustavo H. Weimer, Roger Borges, Marcos A. P. Martins, Paulo R. S. Salbego, Jose Berna and Tainára Orlando*, 
{"title":"Intercomponent Interactions in Crown Ether Rotaxanes: The Energetic Influence of Charge","authors":"Paloma N. Oliveira,&nbsp;Gustavo H. Weimer,&nbsp;Roger Borges,&nbsp;Marcos A. P. Martins,&nbsp;Paulo R. S. Salbego,&nbsp;Jose Berna and Tainára Orlando*,&nbsp;","doi":"10.1021/acs.cgd.5c00958","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00958","url":null,"abstract":"<p >Rotaxanes have garnered significant interest due to their functional properties and the dynamics between their components. Nonetheless, the detailed energetic analyses of intercomponent interactions, particularly in crown ether rotaxanes with varying charge states, remain poorly explored in the solid state. There, this study evaluated 13 crystal structures of rotaxanes, comprising six neutral and seven charged, to determine the intercomponent contact areas and stabilization energies. To enable the analyses across systems with different charge states, we propose a methodological approach to evaluate the stabilization energy of charged rotaxanes. This approach integrates rational counterion selection and energetic decomposition into interaction pathways. The results showed that charged rotaxanes exhibited higher stabilization energies (an average of −81.5 kcal mol<sup>–1</sup>) compared to their neutral counterparts (an average of −35 kcal mol<sup>–1</sup>), attributable to the strengthening of NH···O and CH···O interactions. The total contact area varied across compounds, and the introduction of a second anion slightly increased the contact area without augmenting stabilization energy. Moreover, molecular electrostatic potential surfaces corroborated the influence of charge on intensifying interactions, albeit this increase does not necessarily translate into greater intercomponent stabilization when two charges are involved. In addition to enhancing the understanding of supramolecular interactions in rotaxanes, the results provide a methodological approach applicable to the energetic analysis of charged systems, potentially contributing to future research in supramolecular chemistry.</p><p >This study investigated intercomponent interactions in 13 crown-ether-based rotaxanes, comparing neutral and charged systems. An energetic evaluation across different charge states revealed that charged rotaxanes exhibit stronger stabilization primarily due to enhanced NH···O and CH···O interactions. Notably, the increased intercomponent stabilization energy was found to be nonlinear with respect to the number of charges.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7768–7775"},"PeriodicalIF":3.4,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.5c00958","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094303","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}
引用次数: 0
PEDOT-Doped Transition Metal Phosphide/Sulfide on Silicon Nanowire Arrays for Supercapacitor and Electrocatalysis Applications 硅纳米线阵列上pedot掺杂过渡金属磷化物/硫化物在超级电容器和电催化中的应用
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-08-30 DOI: 10.1021/acs.cgd.5c00724
Xiaojuan Shen*, Pengwei Liu, Chongao Huang, Zuliang Sun and Sumin Li*, 
{"title":"PEDOT-Doped Transition Metal Phosphide/Sulfide on Silicon Nanowire Arrays for Supercapacitor and Electrocatalysis Applications","authors":"Xiaojuan Shen*,&nbsp;Pengwei Liu,&nbsp;Chongao Huang,&nbsp;Zuliang Sun and Sumin Li*,&nbsp;","doi":"10.1021/acs.cgd.5c00724","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00724","url":null,"abstract":"<p >Transition metal sulfides (TMSs) and phosphides (TMPs) have emerged as promising candidates for electrochemical energy storage and conversion systems (EESCSs) due to their unique physicochemical properties. However, pristine TMSs or TMPs often experience significant volume changes and sluggish reaction kinetics during electrochemical processes. These challenges can be effectively addressed by fabricating TMS- or TMP-based composites. Considering their compatibility and the potential for seamless integration with existing silicon-based devices, three-dimensional (3D) silicon frameworks with large specific surface areas are particularly attractive for applications in EESCSs. Herein, hierarchical double active shells composed of PEDOT-doped nickel–cobalt phosphide (NCP) and nickel–cobalt sulfide (NCS) were electrodeposited around nickel-decorated silicon nanowires (SiNWs), forming the NSi/NCP-E/NCS-E electrode. The resulting electrode exhibits exceptional specific capacitance (1760 F/g at 1 A/g) and outstanding rate capability (837 F/g at 100 A/g). The corresponding hybrid NSi/NCP-E/NCS-E//AC supercapacitor achieves an exceptional energy density of 163 Wh/kg. Impressively, the NSi/NCP-E/NCS-E electrode requires low overpotentials of 129 mV for HER (10 mA/cm<sup>2</sup>) and 423 mV for OER (50 mA/cm<sup>2</sup>), highlighting its bifunctional catalytic performance. These results highlight the potential of 3D silicon frameworks combining conductive polymer-doped metal chalcogenides for developing high-performance, cost-effective EESCS materials.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7579–7590"},"PeriodicalIF":3.4,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094307","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}
引用次数: 0
Water-Induced Dual Switching of Magnetic Properties and Proton Conduction in a Hydrogen-Bonded Manganese(II)-Organosulfonate Framework 氢键锰(II)-有机磺酸盐框架中水诱导的磁性和质子传导双开关
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-08-30 DOI: 10.1021/acs.cgd.5c00940
Yi Chen, Fu-Wan Dong, Tao Xu, Lu-Yao Ma, Qi-Juan Cai, Zhengfang Tian*, Jiong Yang, Le Shi and Dong Shao*, 
{"title":"Water-Induced Dual Switching of Magnetic Properties and Proton Conduction in a Hydrogen-Bonded Manganese(II)-Organosulfonate Framework","authors":"Yi Chen,&nbsp;Fu-Wan Dong,&nbsp;Tao Xu,&nbsp;Lu-Yao Ma,&nbsp;Qi-Juan Cai,&nbsp;Zhengfang Tian*,&nbsp;Jiong Yang,&nbsp;Le Shi and Dong Shao*,&nbsp;","doi":"10.1021/acs.cgd.5c00940","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00940","url":null,"abstract":"<p >Dynamic modulation of magnetic and electrical properties through single-crystal-to-single-crystal (SCSC) transformations has always been difficult. Herein, we report the synthesis, structures, magnetic and proton conduction properties of a dynamic manganese(II) hydrogen-bonded organic framework (MnHOF), formulated as {[Mn(bpy)(H<sub>2</sub>O)<sub>4</sub>]·2NPS·H<sub>2</sub>O}<sub><i>n</i></sub> (denoted as <b>1·H</b><sub><b>2</b></sub><b>O</b>, NPS = naphthalenesulfonate, bpy = 4,4′-bipyridine). This framework is assembled from one-dimensional Mn(II) coordination chains interconnected through multiple O–H···O hydrogen-bonding interactions. Upon the loss of lattice water molecules, <b>1·H</b><sub><b>2</b></sub><b>O</b> undergoes reversible single-crystal-to-single-crystal (SCSC) transformation to yield a dehydrated phase, {[Mn(bpy)(H<sub>2</sub>O)<sub>4</sub>]·2NPS}<sub><i>n</i></sub> (<b>1</b>). Interestingly, the dehydrated phase <b>1</b> can recover to <b>1·H</b><sub><b>2</b></sub><b>O</b> through the gain of lattice water molecules from air atmosphere in an SC-SC manner. Remarkably, the structural transition induces a substantial reorganization of the hydrogen-bonded networks and the structure modulation of bridging bpy during the dehydration–rehydration process, which effectively modulates magnetic and proton-conducting pathways and enables reversible switching of magnetic interaction and proton conductivity between “on” and “off” states. At 90 °C and 97% RH, compound <b>1</b>·H<sub>2</sub>O displays superionic proton conductivity, achieving a significant conductivity of 2.85 × 10<sup>–3</sup> S cm<sup>–1</sup>, which is due to continuous 1D hydrogen-bonded chains. This study demonstrates the promising potential of MHOFs for designing dynamically responsive bifunctional proton-conducting magnetic materials.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7752–7760"},"PeriodicalIF":3.4,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094235","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}
引用次数: 0
Fabrication of GaN Nanostructures by Nanosphere Lithography and Their Enhanced Water-Splitting Property 纳米球光刻制备氮化镓纳米结构及其增强的水分解性能
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-08-29 DOI: 10.1021/acs.cgd.4c01731
Tuo Li, Fen Guo*, Chuantong Cheng, Jie Yang, Tinghuan Chen, Kang Su, Changhong Wang, Kai Liu, Xiaofeng Zou, Kejian Zhu, Menglong Wang and Chao Cheng, 
{"title":"Fabrication of GaN Nanostructures by Nanosphere Lithography and Their Enhanced Water-Splitting Property","authors":"Tuo Li,&nbsp;Fen Guo*,&nbsp;Chuantong Cheng,&nbsp;Jie Yang,&nbsp;Tinghuan Chen,&nbsp;Kang Su,&nbsp;Changhong Wang,&nbsp;Kai Liu,&nbsp;Xiaofeng Zou,&nbsp;Kejian Zhu,&nbsp;Menglong Wang and Chao Cheng,&nbsp;","doi":"10.1021/acs.cgd.4c01731","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01731","url":null,"abstract":"<p >In this work, polystyrene (PS) microspheres were employed as an etching mask to fabricate nanostructured gallium nitride (GaN) via inductively coupled plasma (ICP) etching. By precise control of the etching process, well-defined nanocylinders and nanopyramids with distinct dimensions were obtained, with the exposed crystal facets varying from (10–10) for nanocylinders to (11–2–1) and (20–2–1) for larger and smaller nanopyramids, respectively. The photoelectrochemical (PEC) performance of these nanostructures was systematically evaluated and compared to planar GaN. All nanostructured samples exhibited significantly enhanced photocurrent densities, with the nanocylinders achieving a maximum saturated photocurrent of 0.31 mA/cm<sup>2</sup>, approximately 3.1 times higher than planar GaN (0.075 mA/cm<sup>2</sup>). This enhancement is attributed to the enlarged specific surface area, which improves light absorption and increases the interfacial contact with the electrolyte as well as to the formation of surface states that induce band bending and facilitate more efficient separation and transport of photogenerated carriers. These results demonstrate a scalable, low-cost strategy to improve GaN-based PEC water-splitting performance and provide valuable insights for optimizing nanostructured photoelectrode design.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7384–7395"},"PeriodicalIF":3.4,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094333","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}
引用次数: 0
A Robust Yttrium-Based Metal–Organic Framework for Selective Adsorption of C2H2 and C2H6 over C2H4 基于钇基金属-有机骨架的C2H2和C2H6在C2H4上的选择性吸附
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-08-29 DOI: 10.1021/acs.cgd.5c00532
Xin Zhou, Yan-Li Gai, Ying Wang, Shenfang Li, Hailun Xia*, Ke-Cai Xiong* and Hao Wang*, 
{"title":"A Robust Yttrium-Based Metal–Organic Framework for Selective Adsorption of C2H2 and C2H6 over C2H4","authors":"Xin Zhou,&nbsp;Yan-Li Gai,&nbsp;Ying Wang,&nbsp;Shenfang Li,&nbsp;Hailun Xia*,&nbsp;Ke-Cai Xiong* and Hao Wang*,&nbsp;","doi":"10.1021/acs.cgd.5c00532","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00532","url":null,"abstract":"<p >The efficient separation of C2 hydrocarbons (C<sub>2</sub>H<sub>6</sub>, C<sub>2</sub>H<sub>4</sub>, and C<sub>2</sub>H<sub>2</sub>) represents a critical challenge in the chemical industry. Developing adsorbents that are capable of achieving efficient one-step separation of ternary C2 hydrocarbons remains a significant hurdle. Herein, we report a Y-based metal–organic framework (MOF), Y(BTAC) (denoted as HIAM-319, H<sub>3</sub>BTAC = 3,3′,3′’-(1,3,5-benzenetriyl)trisacrylic acid, featuring one-dimensional (1D) channels. HIAM-319 exhibited robust structure and preferential adsorption of C<sub>2</sub>H<sub>2</sub> and C<sub>2</sub>H<sub>6</sub> over C<sub>2</sub>H<sub>4</sub>. Dynamic breakthrough experiments further validated its separation capability for C2 hydrocarbons.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7360–7365"},"PeriodicalIF":3.4,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094360","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}
引用次数: 0
Uniform Al0.87Sc0.13N Thin Film Deposition at Wafer Scale through Magnetron Sputtering 磁控溅射制备均匀Al0.87Sc0.13N薄膜
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-08-29 DOI: 10.1021/acs.cgd.5c00401
Mei Wang*, Xinhang Wang, Jun Gao, Zhengwang Cheng*, Shengjia Li, Wendou Ding, Aobo Wang, Huating Bo, Zhenghao Guo, Wei Zou, Minghu Pan* and Xinguo Ma*, 
{"title":"Uniform Al0.87Sc0.13N Thin Film Deposition at Wafer Scale through Magnetron Sputtering","authors":"Mei Wang*,&nbsp;Xinhang Wang,&nbsp;Jun Gao,&nbsp;Zhengwang Cheng*,&nbsp;Shengjia Li,&nbsp;Wendou Ding,&nbsp;Aobo Wang,&nbsp;Huating Bo,&nbsp;Zhenghao Guo,&nbsp;Wei Zou,&nbsp;Minghu Pan* and Xinguo Ma*,&nbsp;","doi":"10.1021/acs.cgd.5c00401","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00401","url":null,"abstract":"<p >With the rapid advancement in the information age, the performance of advanced memory devices faces increasingly stringent demands and challenges. Sc-doped AlN film (Al(Sc)N) ferroelectric materials have garnered significant attention and applications owing to their unique polarization properties and diverse preparation processes. While several studies have focused on aspects such as ferroelectricity, crystal structure, and film thickness, the preparation of uniform, high-quality films has often been overlooked. This study systematically investigated the effects of sputtering time (30–45 min) and substrate temperature (250–450 °C) on the characteristics of Al<sub>0.87</sub>Sc<sub>0.13</sub>N thin films fabricated on Si substrates via radio frequency magnetron sputtering (RF-MS). Specifically, as sputtering time increased, film thickness nonuniformity initially increased and then decreased to a minimum of 1.65% at 45 min; the sputtering rate showed minor fluctuations; the films maintained a prominent (002) orientation; fwhm decreased to a minimum of 0.32°; crystallite size exhibited an inverse trend to fwhm; and both microstrain and dislocation density decreased, reaching minima of 4.3 × 10<sup>–3</sup> and 1.5 × 10<sup>–3</sup> nm<sup>–2</sup> at 45 min, respectively. Regarding substrate temperature, increasing temperature led to increased thickness nonuniformity, a decreased sputtering rate, and orientation transitions (coexistence of orientations at 250 °C, dominant (002) at 350 °C, and dominant (100) at 450 °C); fwhm decreased; the smallest crystallite size (24.5 nm) occurred at 250 °C, while the largest (84.3 nm) was observed at 450 °C, accompanied by the lowest microstrain (1.45 × 10<sup>–3</sup>) and dislocation density (0.14 × 10–3 nm<sup>–2</sup>) at 450 °C. Optimal film uniformity (1.69%) was achieved at 250 °C for 45 min. The findings provide valuable insights into the fabrication of highly uniform Al(Sc)N ferroelectric films, potentially enhancing their industrial yield.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7446–7456"},"PeriodicalIF":3.4,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094484","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}
引用次数: 0
Growth, Structural, First-Principles Calculations and Spectroscopic Characterization of Undoped and Er3+-Doped NaSrY(MoO4)3 Disordered Laser Crystals 未掺杂和Er3+掺杂NaSrY(MoO4)3无序激光晶体的生长、结构、第一性原理计算和光谱表征
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-08-29 DOI: 10.1021/acs.cgd.5c00892
Chunyu Zuo, Yimin Yang, Yinxia Meng, Weina Li, Rujia Chen, Chenglong Li, Xinying Li, Yuliang Huo, Ming Chang, Weiling Yang*, Chun Li*, Hai Lin, Lina Liu, Shasha Li and Fanming Zeng*, 
{"title":"Growth, Structural, First-Principles Calculations and Spectroscopic Characterization of Undoped and Er3+-Doped NaSrY(MoO4)3 Disordered Laser Crystals","authors":"Chunyu Zuo,&nbsp;Yimin Yang,&nbsp;Yinxia Meng,&nbsp;Weina Li,&nbsp;Rujia Chen,&nbsp;Chenglong Li,&nbsp;Xinying Li,&nbsp;Yuliang Huo,&nbsp;Ming Chang,&nbsp;Weiling Yang*,&nbsp;Chun Li*,&nbsp;Hai Lin,&nbsp;Lina Liu,&nbsp;Shasha Li and Fanming Zeng*,&nbsp;","doi":"10.1021/acs.cgd.5c00892","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00892","url":null,"abstract":"<p >This study reports the growth of NaSrY(MoO<sub>4</sub>)<sub>3</sub> (NSYM) and <i>x</i>Er<sup>3+</sup>:NaSrY<sub>1–<i>x</i></sub>(MoO<sub>4</sub>)<sub>3</sub> disordered single crystals using the top-seeded solution growth (TSSG) method and for the first time presents the structural characteristics and spectroscopic properties of these crystals. Single-crystal analysis indicates that the crystals belong to the tetragonal system with space group <i>I</i>4<sub>1</sub>/<i>a</i>. Due to the random occupation of Na<sup>+</sup>, Sr<sup>2+</sup>, and Y<sup>3+</sup> cations at the same lattice sites in a 1:1:1 stoichiometric ratio, Er<sup>3+</sup> doping further enhances the structural disorder, resulting in significant inhomogeneous broadening of the absorption and emission spectra. Key parameters such as refractive index distribution, band structure, density of states, and elastic constants were calculated based on density functional theory (DFT). Judd–Ofelt theory was used to quantitatively analyze the spectral parameters of Er<sup>3+</sup>ions. The agreement between experimental and theoretical analyses indicates that Er:NSYM crystals, with their unique spectroscopic properties, have significant potential as gain media in tunable laser applications.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7701–7713"},"PeriodicalIF":3.4,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094439","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}
引用次数: 0
Data-Driven Azimuthal RHEED Construction for In Situ Crystal Growth Characterization 原位晶体生长表征的数据驱动方位角RHEED构建
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-08-29 DOI: 10.1021/acs.cgd.5c00368
Abdourahman Khaireh-Walieh*, Alexandre Arnoult, Sébastien Plissard and Peter R. Wiecha*, 
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