Crystal Growth & Design最新文献

{"title":"Isomerization-Driven Photo-Coloration and Elastic Bendability: A Unique Blend of Molecular and Structural Property in Organic Single Crystals","authors":"Shilpa Munthikkot,&nbsp;Velluvakandi Chaluvalappil Saheer,&nbsp;Srinu Tothadi,&nbsp;Sumy Joseph","doi":"10.1021/acs.cgd.6c00849","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00849","url":null,"abstract":"<p>This study analyzes the <em>trans</em>−<em>cis</em> isomerization-induced photo-coloration in elastically bendable chalcone single crystals. Crystal’s bendability, fluorescence, photo-coloration, and thermal stability have exhibited substantial changes by para-substitution with chloro, iodo, or methyl groups. It is interesting to notice that when the molecular property, <em>trans</em>−<em>cis</em> isomerization, is invoked, the crystals turn into a polycrystalline conformational mixture, brittle, photo-colored, and highly fluorescing in solution.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8015–8020"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221920","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":"Crystal−Amorphous−Crystal Transformation of a Photoluminescent Platinum(II) Complex: Solid-State Color Tuning via Dihedral-Angle Variations","authors":"Kazuma Takahara,&nbsp;Ryota Nakamura,&nbsp;Ren Hashimoto,&nbsp;Ren Ueno,&nbsp;Keishiro Tahara,&nbsp;Yoshiki Ozawa,&nbsp;Masaaki Abe","doi":"10.1021/acs.cgd.6c00561","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00561","url":null,"abstract":"<p>A new photoluminescent platinum(II) complex, <em>cis</em>-[PtCl₂(ppt)], where ppt = 2-(2-pyridyl)-4-phenylthiazole, has been synthesized and characterized. Two polymorphs of the complex were isolated with high phase purity: an orange crystalline phase <strong>O-Cryst</strong> and a yellow crystalline phase <strong>Y-Cryst</strong>, each exhibiting distinct solid-state photoluminescence. Partially amorphous phases derived from the respective polymorphs, <strong>O-Ground</strong> and <strong>Y-Ground</strong>, were prepared by mechanical grinding. Upon exposure to acetone vapor, both amorphous phases recrystallized exclusively to the <strong>O-Cryst</strong>. The structural difference among the crystalline and amorphous phases was investigated by powder X-ray diffraction and pair distribution function (PDF) analysis, with the latter clearly revealing the local molecular packing that is inaccessible by conventional diffraction techniques. Density functional theory calculations correlated the relative energies and molecular geometry in the respective solids with the observed photoluminescence color variations. The difference in the dihedral angles between the pyridyl and phenyl rings of the ppt ligand was found to strongly govern the availability of π-delocalized orbitals, thereby accounting for the polymorphism-dependent color variation. The stimuli-induced crystal−amorphous−crystal transformation described here provides a straightforward design principle for fine-tuning of the solid-state photoluminescence while emphasizing the enormous utility of PDF analysis for elucidating local structures and the mechanisms of phase transformation in molecular crystals.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8105–8115"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221950","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":"Deep Neural Network Application to Real-Time Growth Prediction of Epitaxial GaN by Molecular Beam Epitaxy","authors":"Giovanni Drera,&nbsp;Stefano Vichi,&nbsp;Matteo Canciani,&nbsp;Richard Nötzel,&nbsp;Stefano Sanguinetti","doi":"10.1021/acs.cgd.6c00850","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00850","url":null,"abstract":"<p>In this work, we explore the application of machine learning(ML) methods, specifically recurrent neural networks (RNNs), for the analysis and prediction of GaN growth via molecular beam epitaxy (MBE). In particular, we show the possibility to control in real-time and predict the growth evolution based on the actual values of selected parameters. For this purpose, we tailored a specific GaN growth sequence, derived from droplet epitaxy and metal modulated growth; each deposition is characterized using the surface morphology information contained in the ereflection high-energy electron diffraction (RHEED) images together with relevant MBE experimental parameters, such as nitrogen flux, power, and cell temperature. The classification and prediction nets work collecting data on an input window of about 10 s and provides a good prediction accuracy <span><span></span><math><mrow><mo>(</mo><mo>&gt;</mo><mn>0.90</mn><mo>)</mo></mrow></math></span> over a similar time horizon, with a small sized, fast RNN. The simplicity of this net allows for real-time control of the MBE growth, while at the same time providing an early alarm system for unwanted secondary phases through the growth predictions.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8265–8271"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222011","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":"The Dual Impact of Cocrystal Formers: Contrasting Effects of Diprophylline and Theobromine on the Solid-State Characteristics and In Vivo Pharmacokinetics of Myricetin","authors":"Yuheng Zhou,&nbsp;Baoxi Zhang,&nbsp;Jiayu Wang,&nbsp;Zhipeng Wang,&nbsp;Kun Hu,&nbsp;Dezhi Yang,&nbsp;Li Zhang,&nbsp;Yang Lu","doi":"10.1021/acs.cgd.6c01162","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01162","url":null,"abstract":"<p>Myricetin (MYR), also known chemically as 3,5,7,3′,4′,5′-hexahydroxyflavone, is abundantly present in traditional Chinese medicine, various fruits, and other medicinal substances. It is a natural compound renowned for its extensive pharmacological activities. Nevertheless, its extremely low water solubility poses a significant challenge to its development and application. Cocrystallization technology emerges as an effective strategy to address this limitation. In this study, two novel cocrystals of MYR with diprophylline (DPL) and theobromine (TB)<span></span>MYR-DPL−H₂O (1:1:1) and MYR-TB (1:1)<span></span>were successfully synthesized. Their structural characteristics were systematically analyzed, and their stability, hygroscopicity, in vitro dissolution, and in vivo absorption were thoroughly assessed. The findings revealed that both cocrystals demonstrated good stability and reduced the hygroscopicity of MYR. Moreover, the formation of these cocrystals significantly increased the in vitro solubility of MYR. Interestingly, there was a notable discrepancy between the in vitro solubility of MYR cocrystals and their in vivo pharmacokinetic profiles, which suggests an area for further research. As a green and environmentally friendly approach, this crystal engineering technique offers substantial support for improving the physicochemical properties of MYR and enhancing its drugability.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8575–8587"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222069","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 Novel Interpenetrated Cd(II)-Organic Framework and Its Composite with Hydroxyl-Functionalized Multi-Walled Carbon Nanotubes Showing Dual Electrochemical Sensing Behavior to 4-Nitrophenol and Acetaminophen","authors":"Qi Wang,&nbsp;Zhaoyin Zhong,&nbsp;Kou-Lin Zhang","doi":"10.1021/acs.cgd.6c00653","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00653","url":null,"abstract":"<p>A novel 3D interpenetrated Cd(II)-organic framework with lonsdaleite topology, [Cd(asba)(bbtz)₂(H₂O)]·3H₂O (Cd-AB), constructed from 2-amino-4-sulfobenzoic acid (H₂asba) and a flexible linker, 1,4-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (bbtz), was successfully synthesized via a facile slow evaporation method. Furthermore, its hybrid composite with hydroxyl-functionalized multi-walled carbon nanotubes (Cd-AB@HCNTs) was fabricated through a one-pot synthesis strategy. Amperometric measurements demonstrate that Cd-AB and Cd-AB@HCNTs modified glassy carbon electrodes (Cd-AB/GCE and Cd-AB@HCNTs/GCE) exhibit sensitive and selective electrochemical sensing towards 4-nitrophenol (4-NP) in 0.1 M H₂SO₄ and acetaminophen (APAP) in 0.1 M phosphate buffer solution (PBS, pH = 7.0), respectively. Remarkably, Cd-AB@HCNTs is capable of discriminating 4-NP from its isomers, 2-NP and 3-NP. Notably, the Cd-AB@HCNTs composite displays superior electrocatalytic activity for both the reduction of 4-NP and the oxidation of APAP compared to the pristine Cd-AB. The underlying sensing mechanisms for 4-NP and APAP were elucidated through Hirshfeld surface analysis and density of states (DOS) calculations. Moreover, this sensing platform was effectively extended to portable screen-printed electrode (SPE). Among the fabricated electrodes, the Cd-AB@HCNTs/SPE exhibited the most efficient sensing performance, with detection ranges of 0.2 μM to 2.20 mM for 4-NP and 0.5 μM to 2.75 mM for APAP. The corresponding limits of detection (LODs) were determined to be 37.8 nM for 4-NP (δ = 0.00796 μA, <em>N</em> = 10) and 71.4 nM for APAP (δ = 0.00258 μA, <em>N</em> = 10), respectively. Remarkably, the practical applicability of Cd-AB@HCNTs/SPE was validated by successfully detecting 4-NP and APAP in the actual samples, respectively.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8142–8160"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222057","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":"Diffusion-Driven Promotion of Calcium Oxalate Monohydrate Crystallization on Brushite: Wide-Field In Vitro Insights into Protein-Dependent Stone-Forming Environments","authors":"Mihoko Maruyama,&nbsp;Tadashi Ninomiya,&nbsp;Hozumi Takahashi,&nbsp;Yutaro Tanaka,&nbsp;Kazufumi Takano,&nbsp;Jun Kawano,&nbsp;Kouta Nakatsuka,&nbsp;Taichi Tanaka,&nbsp;Atsushi Okada,&nbsp;Hiroshi Y. Yoshikawa,&nbsp;Kenjiro Kohri,&nbsp;Takahiro Yasui,&nbsp;Masashi Yoshimura,&nbsp;Yusuke Mori","doi":"10.1021/acs.cgd.6c00109","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00109","url":null,"abstract":"<p>Despite substantial advances in understanding urinary stone formation, including mechanisms of calcium phosphate (CaP) crystallization, tissue infiltration, and stone development via Randall’s plaques, the global prevalence of urolithiasis continues to rise and current knowledge has only limited impact on clinical outcomes. This study focuses on the CaP phase, particularly brushite, and re-examines its role under physiologically relevant conditions as a potential key to more effective prevention. The aim was to elucidate how reactions proceed near the surfaces of brushite crystals that can present in urine, and how these reactions are modulated by coexisting proteins, using wide-field optical observation combined with quantitative modeling. Single-crystal brushite was immersed in a model solution pre-equilibrated with calcium oxalate monohydrate (COM), and the time evolution of the Ca²⁺ concentration field associated with brushite dissolution was evaluated by in situ microscopy and one-dimensional diffusion analysis. The results demonstrated that brushite dissolution generates a critical Ca²⁺ supersaturation zone extending several hundred micrometers from the crystal surface, within which COM nucleation occurs. Upon addition of bovine serum albumin (BSA) as a model protein, the average growth of COM was inhibited, whereas the local frequency of COM nucleation increased markedly in regions of the brushite surface with high step and kink densities, yielding dense, rigid COM−brushite composites. These findings indicate that brushite crystals function not merely as apatite precursors, but as localized “reaction fields” that spatially control calcium oxalate nucleation, aggregation, and consolidation. Furthermore, urinary proteins can, through these fields, act not only as inhibitors but also as local promoters of stone formation.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8021–8034"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221865","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":"Color-Tunable Long-Afterglow Materials Constructed by a Zinc Coordination Polymer or an Organic Cocrystal: Design, Syntheses, and Dual Applications in Information Encryption and Anti-Counterfeiting","authors":"Rui Wang,&nbsp;Su-Jia Liu,&nbsp;Dong-Dong Yang,&nbsp;Yong-Sheng Shi,&nbsp;Zhong-Gang Xia,&nbsp;Xue-Bin Deng,&nbsp;Xiang-Jun Zheng","doi":"10.1021/acs.cgd.6c00877","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00877","url":null,"abstract":"<p>The stimuli-responsive, multifunctional long-afterglow materials represent a pivotal direction for advancing information security and anti-counterfeiting. Herein, this study presents the design and syntheses of two long-persistent luminescent materials: a zinc coordination polymer, [Zn(bpy)(HIPA)₂]_<em>n</em> (<strong>1</strong>, bpy = 4,4′-bipyridine; IPA = isophthalate), and an organic cocrystal, (bpy)·2(H₂IPA) (<strong>2</strong>), constructed from isophthalic acid and 4,4′-bipyridine. Both compounds exhibit dual-mode long-lived luminescence, room-temperature phosphorescent (RTP), and delayed fluorescence (DF), especially color-tunable afterglow. Notably, <strong>1</strong> demonstrated a significantly prolonged afterglow duration of 6 s, highlighting the critical role of metal coordination in enhancing the phosphorescence lifetime and outperforming most IPA-based luminescent compounds. Single-crystal X-ray diffraction analysis confirmed that zinc (II) ions and ligands constructed a more rigid 1D coordination polymer via the linkage of bpy, which effectively suppressed non-radiative decay induced by molecular vibration and rotation. Density functional theory (DFT) calculations confirm the existence of metal−ligand charge transfer (MLCT) and ligand−ligand charge transfer (LLCT) in <strong>1</strong> and charge transfer (CT) and local excitation (LE) in <strong>2</strong>, which are responsible for the excitation-wavelength-dependent emission of <strong>1</strong> and <strong>2</strong>. Leveraging their exceptional dynamic luminescence, a time-gated information encryption and multi-level anti-counterfeiting system was developed. This work not only elucidates the structure−property relationship governing phosphorescent behavior but also provides a novel strategy for developing multifunctional materials integrating information encryption and anti-counterfeiting.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8281–8289"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221985","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":"Electron Beam Radiolysis-Assisted Growth of Rutile TiO2 Thin Films","authors":"Silu Guo,&nbsp;Nitin Sathish Kumar,&nbsp;Sreejith Nair,&nbsp;Supriya Ghosh,&nbsp;Bharat Jalan,&nbsp;K. Andre Mkhoyan","doi":"10.1021/acs.cgd.6c01067","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01067","url":null,"abstract":"<p>A new approach for growing crystalline thin films is developed that takes advantage of electron beam radiolysis as a constructive force to rearrange atoms into a crystalline structure. It is demonstrated that by irradiating the surface of a TiO₂ film by an electron beam supplied by a reflection high-energy electron diffraction (RHEED) gun inside the MBE chamber during growth, a crystalline film can be grown at much lower substrate temperatures, where deposited films typically appear amorphous. Here, rutile TiO₂ films were grown using hybrid molecular beam epitaxy (MBE), allowing atomic-level control of growth as well as an observation of radiolysis-driven crystallization. Analysis was carried out using a combination of SEM and atomic-resolution STEM imaging. It is also shown that by tuning the temperature of the substrate and the dose of the electron beam, the degree of crystallinity of the film can be controlled.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8473–8479"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221997","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 Review of Stoichiometrically Diverse Pharmaceutical Cocrystals: Preparation, Characterization, and Physicochemical Properties","authors":"Zun-Hua Li,&nbsp;Jeong Won Kang,&nbsp;Gerard Coquerel,&nbsp;Bum Jun Park,&nbsp;Woo-Sik Kim","doi":"10.1021/acs.cgd.6c00914","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00914","url":null,"abstract":"<p>Pharmaceutical cocrystals are constructed via non-covalent interactions between active pharmaceutical ingredients and coformers, enabling the improvement of solubility, stability, bioavailability, and processing suitability while preserving the structural integrity of drug molecules. Previous research on pharmaceutical cocrystals has predominantly focused on 1:1 stoichiometric systems; however, recent findings have revealed that stoichiometrically diverse cocrystals exhibit more diverse structural morphologies and greater flexibility in performance modulation. This review comprehensively summarizes the latest advances in synthesis strategies, characterization techniques, physicochemical properties, and application explorations of pharmaceutical cocrystals with different stoichiometric ratios. Stoichiometrically diverse cocrystals can be prepared by methods such as solution crystallization, mechanochemical synthesis, and vapor-induced phase transformation. Their crystal architecture, molecular arrangement, and physicochemical properties are strongly correlated with stoichiometry. Such cocrystals with stoichiometry departing from 1:1 offer significant advantages in solubility regulation, dissolution profile optimization, and bioactivity modulation, and some systems even enable reversible dynamic switching of stoichiometry. Furthermore, this review analyzes current challenges in the prediction of formation rules, stabilization of metastable phases, and scale-up production of stoichiometrically diverse pharmaceutical cocrystals, and outlines future development pathways, including machine learning-assisted design, multicomponent drug−drug cocrystals, and smart responsive cocrystals.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8618–8635"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221967","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":"Selective Coordination Assembly of a Stable and Energetic Metal Organic Framework with Chlorate Anions","authors":"Guangli Wang,&nbsp;Ruibing Lv,&nbsp;Tingwei Wang,&nbsp;Zhenghang Luo,&nbsp;Qi Zhang,&nbsp;Haijun Yang","doi":"10.1021/acs.cgd.6c01011","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01011","url":null,"abstract":"<p>Property modulation is critical for high-performance energetic materials, where structural tunability of energetic metal−organic frameworks (EMOFs) provides a powerful solution. Herein, incorporating oxidative guests into EMOFs creates redox synergies to boost detonation and laser initiation performance, where a rigid nitrogen-rich fused tricyclic Ditetrazolo[1,5-a:1′,5′-c]pyrazine was adopted as energetic ligand. Exploiting the versatile coordination behavior of Ag⁺, preferential coordination between silver ions and oxygen atoms from ClO₃⁻ was established, enabling the precise anchoring of this oxidative guest into a dinuclear silver-based 2D [Ag₂(DTP)(ClO₃)₂]_n (<strong>EMOF-1</strong>). Single crystal X-ray diffraction (SCXRD) reveals that the ClO₃⁻ anions are chemically bound to the framework via strong coordination bonds, thereby intrinsically reinforcing the structural stability. Consequently, <strong>EMOF-1</strong> exhibits a near-zero oxygen balance superior to conventional chlorate-based EMOFs, driving an exceptional balance of properties: a high thermal decomposition temperature (<em>T</em>_d = 201 °C), desensitized mechanical sensitivity (IS = 5 J, FS = 64 N), and rapid laser initiation (<em>t</em> &lt; 2 ms, <em>E</em> &lt; 20 mJ). This synergistic optimization successfully decouples the intrinsic trade-off between energy output, structural stability, and initiation sensitivity. This structural regulation strategy opens a generalizable pathway for exploiting oxidative-guest functionalized EMOFs, offering critical insights for the rational design of next-generation laser-initiated energetic materials.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8444–8453"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222026","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}