Precision Chemistry最新文献_第3页

Defect Chemistry in Rare-Earth High-Entropy Oxides for Solar-Driven CO2 Conversion 太阳能驱动CO2转化用稀土高熵氧化物的缺陷化学

IF 7.7

Precision Chemistry Pub Date : 2026-09-28 Epub Date: 2026-04-14 DOI: 10.1021/prechem.5c00456

Dalibor Tatar, Habib Ullah, Mohit Yadav, Jelena Kojčinović, Stjepan Šarić, Cora Bartus Pravda, Shaowei Zhang, Sajjad Ali, Tina Skalar, Jasminka Popović, Aleksandra Pavlović, Matjaž Finšgar, Kristijan Dinjar, Sadia, Denis Arčon, András Sápi, Ákos Kukovecz, Zoltán Kónya, Igor Djerdj

{"title":"Defect Chemistry in Rare-Earth High-Entropy Oxides for Solar-Driven CO2 Conversion","authors":"Dalibor Tatar, Habib Ullah, Mohit Yadav, Jelena Kojčinović, Stjepan Šarić, Cora Bartus Pravda, Shaowei Zhang, Sajjad Ali, Tina Skalar, Jasminka Popović, Aleksandra Pavlović, Matjaž Finšgar, Kristijan Dinjar, Sadia, Denis Arčon, András Sápi, Ákos Kukovecz, Zoltán Kónya, Igor Djerdj","doi":"10.1021/prechem.5c00456","DOIUrl":"https://doi.org/10.1021/prechem.5c00456","url":null,"abstract":"Up to date, the development of highly efficient, visiblelight-activecatalysts remains a formidable challenge due to the enhanced risingof atmospheric CO2 concentration. This study discussesa class of ceria-based high-entropy oxides designed to optimize chargecarrier dynamics, surface reactivity, and CO2 activationefficiency. Due to the advantages of high configurational entropyand multi-element synergy, these materials achieved improved photocatalyticperformance, surpassing conventional ceria-based systems. Structuraland spectroscopic analyses reveal that Pr3+/Pr4+ redox pairs and abundant oxygen vacancies create an electronicallydisordered yet thermodynamically stable environment, which enhancescharge separation and suppresses electron-hole recombination. Photocatalyticexperiments demonstrated that Ce0.2Zr0.2La0.2Pr0.2Sm0.2O2−δ (CZLPS) achieves the highest CO2 conversion rate, reachinga conversion of 20.3% under visible light irradiation, significantlysurpassing pure ceria (1.4%), with a calculated space-time yield (STY)of 10.15 molCOkg–1h–1 under the same conditions. First-principles density functional theory(DFT) simulations were employed to investigate the CO2 reductionmechanism on CZLPS catalysts. The study elucidates the Gibbs freeenergy changes (ΔG) for each step of the reactionpathways leading to CO and HCOOH formation, highlighting the Zr siteof CZLPS as the most active for the CO2RR, which is responsiblefor the outstanding catalytic activity.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 9","pages":"1414–1432"},"PeriodicalIF":7.7,"publicationDate":"2026-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149067466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Precision Chemical Design for Reticular Spintronics 网状自旋电子学的精密化学设计

IF 7.7

Precision Chemistry Pub Date : 2026-09-28 Epub Date: 2026-06-02 DOI: 10.1021/prechem.6c00044

Yixuan Che, Haifeng Lv, Xiaojun Wu

{"title":"Precision Chemical Design for Reticular Spintronics","authors":"Yixuan Che, Haifeng Lv, Xiaojun Wu","doi":"10.1021/prechem.6c00044","DOIUrl":"https://doi.org/10.1021/prechem.6c00044","url":null,"abstract":"The development of spin functionalitiesdepends criticallyon magneticmaterials in which spin states, exchange pathways, and transport propertiescan be precisely engineered at the atomic level. Reticular chemistryprovides a modular and programmable platform to meet this need byenabling rigorous control over the composition, connectivity, andtopology within periodic frameworks. At the intersection of thesetwo fields, reticular spintronics exploits chemicalprecision to systematically modulate spin-active centers and exchangeinteractions while incorporating stimuli-responsive components fordynamic control. In this review, we discuss how reticular architecturescan translate molecular design principles into tunable spintronicbehaviors in metal–organic frameworks (MOFs) and covalent organicframeworks (COFs) to highlight complementary design features. By linkingmicroscopic coordination chemistry to macroscopic spin phenomena,these frameworks offer a versatile route to predictable control overspin-polarized transport and collective magnetism. These insightsestablish a design-oriented framework for engineering spin in reticularframework-based systems and guide the development of chemically programmablespin materials.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 9","pages":"1315–1331"},"PeriodicalIF":7.7,"publicationDate":"2026-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149067441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Solution-Processed, Large-Area Two-Dimensional Organic Single-Crystalline Films: Strategies, Mechanisms, and Applications 溶液处理的大面积二维有机单晶薄膜：策略、机制和应用

IF 7.7

Precision Chemistry Pub Date : 2026-09-28 Epub Date: 2026-04-28 DOI: 10.1021/prechem.5c00430

Lingyun Li, Jinwen Wang, Tingyi Yan, Ke Jiang, Qing Tian, Yage Han, Yuanzhuang Ren, Xiujuan Zhang, Jiansheng Jie

{"title":"Solution-Processed, Large-Area Two-Dimensional Organic Single-Crystalline Films: Strategies, Mechanisms, and Applications","authors":"Lingyun Li, Jinwen Wang, Tingyi Yan, Ke Jiang, Qing Tian, Yage Han, Yuanzhuang Ren, Xiujuan Zhang, Jiansheng Jie","doi":"10.1021/prechem.5c00430","DOIUrl":"https://doi.org/10.1021/prechem.5c00430","url":null,"abstract":"π-conjugated two-dimensional (2D) organic single-crystallinefilms (OSCFs) hold great promise for next-generation organic electronics,thanks to their ultrathin morphology, absence of grain boundaries,long-range molecular order, and excellent charge transport properties.Among various fabrication strategies, solution-processed approacheshave garnered significant attention due to their ability to regulatenucleation and growth dynamics, thereby enabling the scalable fabricationof large-area, high-quality, 2D OSCFs. This review systematicallyexamines the key parameters governing the large-area growth of 2DOSCFs, with a focused discussion on the advantages and limitationsof representative solution-processed approaches. Recent breakthroughsin 2D OSCF-based field-effect transistors are highlighted along withtheir emerging applications in integrated organic circuits. Finally,the key challenges and further perspectives are outlined in orderto promote the future development of the 2D OSCFs in next-generationhigh-performance organic electronic devices.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 9","pages":"1298–1314"},"PeriodicalIF":7.7,"publicationDate":"2026-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149067473","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Substrate-Induced Interfacial Coupling between Graphene and Copper 衬底诱导的石墨烯和铜之间的界面耦合

IF 7.7

Precision Chemistry Pub Date : 2026-09-28 Epub Date: 2026-03-10 DOI: 10.1021/prechem.6c00002

Chong Zhao, Qianyi Liu, Zhibin Zhang, Mengze Zhao, Qingqiu Cheng, Yue Zhao, Muhong Wu, Kaihui Liu

{"title":"Substrate-Induced Interfacial Coupling between Graphene and Copper","authors":"Chong Zhao, Qianyi Liu, Zhibin Zhang, Mengze Zhao, Qingqiu Cheng, Yue Zhao, Muhong Wu, Kaihui Liu","doi":"10.1021/prechem.6c00002","DOIUrl":"https://doi.org/10.1021/prechem.6c00002","url":null,"abstract":"Graphene/copper (Gr/Cu) composites,which combine theexceptionalelectrical, thermal, and mechanical properties of both components,have emerged as a promising platform for advanced electronic and energystorage applications. Successful studies have been done on optimizinggraphene incorporation and morphology, while the impact of Gr/Cu interfacialinteractions on composite performance remains underexplored. Here,we systematically investigate eight Gr/Cu interfaces and clarify theirinterfacial coupling relationships. Our results demonstrate that thedoping level of graphene closely correlates with the crystallographicorientation of Cu, where Gr/Cu(111) exhibits the highest electrondoping level, and Gr/Cu(332) shows the lowest. Higher doping is accompaniedby greater graphene surface friction, revealing a direct link betweencharge transfer at the interface and tribological behavior. Crystallographicorientation control represents an atomically precise interfacial engineeringstrategy for tailoring interfacial coupling. Through this approach,charge transfer and friction can be effectively tuned, paving theway for the rational design of high-performance Gr/Cu composites forapplications such as efficient power transmission, reliable electricalinterconnects, and low-friction systems.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 9","pages":"1433–1439"},"PeriodicalIF":7.7,"publicationDate":"2026-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149067455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Precise Temperature-Gradient Regulated Structure–Activity Relationship of PCN-224 as Bifunctional Nanocarriers 精确温度梯度调控双功能纳米载体PCN-224的构效关系

IF 7.7

Precision Chemistry Pub Date : 2026-09-28 Epub Date: 2026-03-13 DOI: 10.1021/prechem.5c00448

Lejie Tian, Huidan Xue, Michael Gradzielski, Li Shang, Shuanhong Ma, Peiwei Gong, Long Wang, Jianxi Liu, Weimin Liu

{"title":"Precise Temperature-Gradient Regulated Structure–Activity Relationship of PCN-224 as Bifunctional Nanocarriers","authors":"Lejie Tian, Huidan Xue, Michael Gradzielski, Li Shang, Shuanhong Ma, Peiwei Gong, Long Wang, Jianxi Liu, Weimin Liu","doi":"10.1021/prechem.5c00448","DOIUrl":"https://doi.org/10.1021/prechem.5c00448","url":null,"abstract":"Metal–organic frameworks (MOFs) demonstrate considerablepotential for biomedical applications. Due to their high porosityand photoactive porphyrin ligands, PCN-224 is considered an idealdrug delivery nanocarrier. However, the synthesis strategy for tailoringthe application of PCN-224 in complex pathological diseases remainsunclear. In this study, we investigated the structure–activityrelationship of PCN-224 nanoparticles as bifunctional nanocarriersfor osteoarthritis (OA) treatment under a precisely controlled temperaturegradient. By tuning the temperatures, a series of PCN-224 nanoparticleswith adjustable sizes were synthesized and their morphologies transitionedfrom a spindle-shaped to a spherical-shaped structure. The photoluminescenceintensity of PCN-224 nanoparticles decreased as the synthesis temperaturesincreased. Using PCN-224 nanoparticles as aqueous lubricating additives,both the friction coefficient and wear volume were significantly reduced.Among the MOFs, PCN-224 (synthesized at 105 °C) exhibited excellentantifriction performances and acid-responsive drug release properties,demonstrating their promise as bifunctional OA treatment nanocarriers.Our work enhanced the understanding of the relationships between PCN-224synthesis conditions and its physicochemical properties relationships,expanding their potential for multifunctional biomedical applications.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 9","pages":"1405–1413"},"PeriodicalIF":7.7,"publicationDate":"2026-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149067457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Precise Structural Design for Chemically Recyclable Polymers 化学可回收聚合物的精确结构设计

IF 7.7

Precision Chemistry Pub Date : 2026-09-28 Epub Date: 2026-03-13 DOI: 10.1021/prechem.5c00377

Xiaoyan Xu, Jingxi Deng, Zhaoming Zhang, Xuzhou Yan

引用次数: 0

Materials Databases: Foundations of Modern Digital Materials 材料数据库：现代数字材料的基础

IF 7.7

Precision Chemistry Pub Date : 2026-08-24 Epub Date: 2026-03-27 DOI: 10.1021/prechem.5c00449

Yutian Zhuang, Xiaojin Yang, Chenyi Zhang, Xue Jia, Di Zhang, Mingzhe Li, Tongao Yao, Jiayu Peng, Zhengyang Gao, Weijie Yang, Hao Li

{"title":"Materials Databases: Foundations of Modern Digital Materials","authors":"Yutian Zhuang, Xiaojin Yang, Chenyi Zhang, Xue Jia, Di Zhang, Mingzhe Li, Tongao Yao, Jiayu Peng, Zhengyang Gao, Weijie Yang, Hao Li","doi":"10.1021/prechem.5c00449","DOIUrl":"https://doi.org/10.1021/prechem.5c00449","url":null,"abstract":"Materials databases are increasingly the backbone ofdata-drivendiscovery for energy materials. In this Perspective, we map the ecosystem of computational and experimental databases,and argue that database architecture, which covers ingestion, curation,metadata, provenance, and access interfaces, strongly influences theperformance and trustworthiness of modern AI models. We classify computationalrepositories into bulk-property and surface/interface resources, andsummarize representative experimental databases spanning crystal structures,catalysis, energy storage, and characterization. Beyond single-modalityrepositories, we highlight integrated platforms that connect computeddescriptors with context-rich experimental evidence and tool interfaces,enabling iterative hypothesis testing and closed-loop validation.Building on these examples, we propose a database–model–experimentroadmap for training and deploying graph neural networks, machinelearning interatomic potentials, and large language model-based AIAgents. Finally, we outline key bottlenecks that must be addressedfor reliable autonomous discovery, including FAIR (Findable, Accessible,Interoperable, Reusable)-aligned standardization, bias and missingnegative results, and cross-code reproducibility.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 8","pages":"1087–1102"},"PeriodicalIF":7.7,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148810437","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spectra: Tokens of the Physical World─A Unifying Framework for Encoding, Connection, Interpretation, and Generation 光谱：物理世界的符号─编码、连接、解释和生成的统一框架

IF 7.7

Precision Chemistry Pub Date : 2026-08-24 Epub Date: 2026-06-09 DOI: 10.1021/prechem.6c00070

Yi Luo

引用次数: 0

Dendritic Fibrous Nanosilica Coated with a Graphitic Carbon Nitride Shell as a Selective Catalyst for N-Dealkylation 包覆氮化碳石墨壳的枝状纤维纳米二氧化硅作为n -脱烷基选择性催化剂

IF 7.7

Precision Chemistry Pub Date : 2026-08-24 Epub Date: 2026-02-27 DOI: 10.1021/prechem.5c00195

Maksim D. Lebedev, Alexander A. Goncharenko, Dmitry V. Filippov, Pavel A. Yunin, Elizaveta D. Siaglova, Alexander A. Kalyagin, Dmitrii Aleksandrovich Pudikov, Ivan A. Skvortsov

{"title":"Dendritic Fibrous Nanosilica Coated with a Graphitic Carbon Nitride Shell as a Selective Catalyst for N-Dealkylation","authors":"Maksim D. Lebedev, Alexander A. Goncharenko, Dmitry V. Filippov, Pavel A. Yunin, Elizaveta D. Siaglova, Alexander A. Kalyagin, Dmitrii Aleksandrovich Pudikov, Ivan A. Skvortsov","doi":"10.1021/prechem.5c00195","DOIUrl":"https://doi.org/10.1021/prechem.5c00195","url":null,"abstract":"KCC-1@g-C3N4 composites, synthesizedviathermal condensation of the melamine–cyanuric acid (MCA) complexon mesoporous KCC-1 silica nanoparticles, were developed with g-C3N4 content ranging from 7 to 45 wt %. Characterizationby SEM, STEM, FTIR, XPS, and UV–vis DRS revealed a core–shellstructure with band gaps of 2.82 and 2.86 eV and specific surfaceareas of 167.5–526.8 m2/g. These composites wereevaluated as photocatalysts for the transformation of rhodamine Bunder visible light. At low g-C3N4 content (7–33wt %), the composites selectively promote N-dealkylation, convertingrhodamine B to rhodamine-110, as confirmed by UV–vis spectroscopyand mass spectrometry MALDI-TOF. Higher g-C3N4 content (38–45 wt %) leads to chromophore destruction, resemblingpure g-C3N4 behavior. The enhanced N-dealkylationselectivity at lower g-C3N4 ratios is attributedto efficient charge separation facilitated by KCC-1 impurity electroniclevels and the defects in the g-C3N4 shell.These findings highlight the potential of KCC-1@g-C3N4 composites for selective photocatalytic transformations,offering applications in environmental remediation and organic synthesis.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 8","pages":"1141–1154"},"PeriodicalIF":7.7,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148810090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quantum Landscape of Precision Chemistry 精密化学的量子景观

IF 7.7

Precision Chemistry Pub Date : 2026-08-24 Epub Date: 2026-06-17 DOI: 10.1021/prechem.6c00074

Zhenyu Li, Xiangfeng Duan, Jinlong Yang

引用次数: 0