Resultados totales (Incluyendo duplicados): 45302
Encontrada(s) 4531 página(s)
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341334
Dataset. 2023

INTEGRATION OF METAL–ORGANIC POLYHEDRA ONTO A NANOPHOTONIC SENSOR FOR REAL-TIME DETECTION OF NITROGENOUS ORGANIC POLLUTANTS IN WATER [DATASET]

  • Calvo-Lozano, Olalla
  • Hernández-López, Laura
  • Gomez, Leyre
  • Carné-Sánchez, Arnau
  • Baeckmann, Cornelia von
  • Lechuga, Laura M.
  • Maspoch, Daniel
26 pages. -- S1. Materials and experimental methods. -- S1.1 Materials and characterization techniques. -- S1.2 Synthesis of COOHRhMOP and Rh2(BDC)4 cluster. -- S1.3 Fabrication and functionalization of the BiMW sensor. -- S1.4 Coordination capabilities of COOHRhMOP in aqueous solutions. -- S2. Characterization. -- S2.1 Model amide coupling between COOHRhMOP and propylamine. -- S2.2 Coordination capabilities of COOHRhMOP in aqueous solutions. -- S2.3 BiMW sensor surface characterization. -- S2.4 Characterization of the analytical performance of the Rh(II)-functionalized BiMW sensor surface. -- S3. Data analysis., The grave health and environmental consequences of water pollution demand new tools, including new sensing technologies, for the immediate detection of contaminants in situ. Herein, we report the integration of metal–organic cages or polyhedra (MOCs/MOPs) within a nanophotonic sensor for the rapid, direct, and real-time detection of small (<500 Da) pollutant molecules in water. The sensor, a bimodal waveguide silicon interferometer incorporating Rh(II)-based MOPs as specific chemical receptors, does not require sample pretreatment and enables minimal expenditure of time and reagents. We validated our sensor for the detection of two common pollutants: the industrial corrosion inhibitor 1,2,3-benzotriazole (BTA) and the systemic insecticide imidacloprid (IMD). The sensor offers a fast time-to-result response (15 min), high sensitivity, and high accuracy. The limit of detection (LOD) in tap water for BTA is 0.068 μg/mL and for IMD, 0.107 μg/mL, both of which are below the corresponding toxicity thresholds defined by the European Chemicals Agency (ECHA). By combining innovative chemical molecular receptors such as MOPs with state-of-the-art photonic sensing technologies, our research opens the path to implement competitive sensor devices for in situ environmental monitoring., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/341334
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341334
HANDLE: http://hdl.handle.net/10261/341334
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341334
PMID: http://hdl.handle.net/10261/341334
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341334
Ver en: http://hdl.handle.net/10261/341334
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341334

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341335
Dataset. 2023

INTERMODULATION OF OPTICAL FREQUENCY COMBS IN A MULTIMODE OPTOMECHANICAL SYSTEM: SUPPLEMENTARY MATERIAL

  • Ng, Ryan C.
  • Nizet, Paul
  • Navarro-Urrios, D.
  • Arregui, Guillermo
  • Albrechtsen, Marcus
  • García, Pedro David
  • Stobbe, Søren
  • Sotomayor Torres, C. M.
  • Madiot, Guilhem
4 pages. -- The Supplemental Information contains the following sections: Derivation of the mechanical susceptibilities. -- Geometrical parameters of the designed device. -- Determination of the lasing thresholds. -- Thermo-optic effect and free-carrier absorption. -- Intermodulation of MHz and GHz modes. -- Self-pulsing and other multimode lasing regimes. -- Numerical simulation details., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/341335
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341335
HANDLE: http://hdl.handle.net/10261/341335
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341335
PMID: http://hdl.handle.net/10261/341335
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341335
Ver en: http://hdl.handle.net/10261/341335
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341335

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341336
Dataset. 2023

ISORETICULAR CONTRACTION OF METAL–ORGANIC FRAMEWORKS INDUCED BY CLEAVAGE OF COVALENT BONDS [DATASET]

  • Yang, Yunhui
  • Fernández-Seriñán, Pilar
  • Imaz, Inhar
  • Gándara Barragán, Felipe
  • Handke, Marcel
  • Ortín-Rubio, Borja
  • Juanhuix, Judith
  • Maspoch, Daniel
46 pages. -- Section S1. General Methods and Materials. -- S1.1 Chemicals and reagents. -- S1.2 Instruments. -- Section S2. Synthetic Procedures. -- S2.1 Synthesis of 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoic acid (H3TATB). -- S2.2 Synthesis of (In)BCN-20B. -- S2.3 Synthesis of (Sc)BCN-20C. -- Section S3. (In)BCN-20B. -- Section S4. (In)BCN-20B’. -- Section S5. (In)BCN-20A. -- Section S6. Structural Evolution from (Sc)BCN-20C to (Sc)BCN-20A. -- References., Isoreticular chemistry, in which the organic or inorganic moieties of reticular materials can be replaced without destroying their underlying nets, is a key concept for synthesizing new porous molecular materials and for tuning or functionalization of their pores. Here, we report that the rational cleavage of covalent bonds in a metal–organic framework (MOF) can trigger their isoreticular contraction, without the need for any additional organic linkers. We began by synthesizing two novel MOFs based on the MIL-142 family, (In)­BCN-20B and (Sc)­BCN-20C, which include cleavable as well as noncleavable organic linkers. Next, we selectively and quantitatively broke their cleavable linkers, demonstrating that various dynamic chemical and structural processes occur within these structures to drive the formation of isoreticular contracted MOFs. Thus, the contraction involves breaking of a covalent bond, subsequent breaking of a coordination bond, and finally, formation of a new coordination bond supported by structural behavior. Remarkably, given that the single-crystal character of the parent MOF is retained throughout the entire transformation, we were able to monitor the contraction by single-crystal X-ray diffraction., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/341336
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341336
HANDLE: http://hdl.handle.net/10261/341336
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341336
PMID: http://hdl.handle.net/10261/341336
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341336
Ver en: http://hdl.handle.net/10261/341336
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341336

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341344
Dataset. 2023

SUPPORTING INFORMATION FOR ADV. MATER., DOI 10.1002/ADMA.202209104 MONOLITHIC ZIRCONIUM-BASED METAL–ORGANIC FRAMEWORKS FOR ENERGY-EFFICIENT WATER ADSORPTION APPLICATIONS

  • Çamur, Ceren
  • Babu, Robin
  • Suárez, José Antonio
  • Rampal, Nakul
  • Pérez-Carvajal, Javier
  • Hügenell, Philipp
  • Ernst, Sebastian-Johannes
  • Silvestre‐Albero, Joaquín
  • Imaz, Inhar
  • Madden, David
  • Maspoch, Daniel
  • Fairen-Jiménez, David
45 pages. -- 1. Synthesis and characterisation of monolithic Zr-MOFs. -- 1.1 Materials & Method. -- 1.2 Characterization methods. -- 1.3 Computational details. -- 1.4 Characterisation of monoZr-MOF. -- 2. Calculation of COP. -- 3. References., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/341344
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341344
HANDLE: http://hdl.handle.net/10261/341344
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341344
PMID: http://hdl.handle.net/10261/341344
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341344
Ver en: http://hdl.handle.net/10261/341344
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341344

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341348
Dataset. 2023

SUPPORTING INFORMATION FOR SMALL, DOI: 10.1002/SMLL.202302644 IS SOFT CARBON A MORE SUITABLE MATCH FOR SIOX IN LI-ION BATTERY ANODES?

  • Sun, Qing
  • Zeng, Guifang
  • Li, Jing
  • Wang, Shang
  • Botifoll, Marc
  • Wang, Hao
  • Li, Deping
  • Ji, Fengjun
  • Cheng, Jun
  • Shao, Huaiyu
  • Tian, Yanhong
  • Arbiol, Jordi
  • Cabot, Andreu
  • Ci, Lijie
20 pages. -- Experimental: Raw Materials. -- Modifications and Syntheses of Materials. -- Characterization techniques. -- Operando XRD Characterization. -- Batteries. -- Finite element simulations. Figures S1-S13 . -- Table S2. Interlayer distance (0 0 2) statistics of Gr and SC. -- Table S3. Definition of parameters of matrix polynomial for GrS electrode.. -- Table S4. Definition of parameters of matrix polynomial for SCS electrode., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/341348
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341348
HANDLE: http://hdl.handle.net/10261/341348
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341348
PMID: http://hdl.handle.net/10261/341348
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341348
Ver en: http://hdl.handle.net/10261/341348
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341348

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341352
Dataset. 2023

SUPPLEMENTARY DATA OF THE ARTICLE MACHINE LEARNING ASSISTED CHEMICAL CHARACTERIZATION TO INVESTIGATE THE TEMPERATURE-DEPENDENT SUPERCAPACITANCE USING CO-RGO ELECTRODES

  • Liu, Xiaoyu
  • Ji, Dali
  • Jin, Xiaoheng
  • Quintano, Vanesa
  • Joshi, Rakesh
Figures S1-S9. -- Spreadsheet S1-S5., 1-s2.0-S0008622323005870-mmc1.docx, 1-s2.0-S0008622323005870-mmc2.xlxs, Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/341352
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341352
HANDLE: http://hdl.handle.net/10261/341352
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341352
PMID: http://hdl.handle.net/10261/341352
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341352
Ver en: http://hdl.handle.net/10261/341352
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341352

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341359
Dataset. 2023

SUPPORTING INFORMATION NANOSTRUCTURED IR-BASED ELECTROCATALYSTS FOR OXYGEN EVOLUTION PREPARED BY GALVANIC DISPLACEMENT OF CO AND NI

  • Holde, Freja Bech
  • Sebastián, Paula
  • Dalby, Kim Nicole
  • Gómez, Elvira
  • Escudero, María
13 pages. -- S1: Determination of areas and formation of metallic iridium and derived iridium oxide. -- S2: Electrodeposition of Co and Ni in deep eutectic solvents. -- S3: Influence of time and temperature on the GDR of Co and Ni by Ir(IV). -- S4: Energy dispersive X-ray Spectroscopy (EDX) analysis. -- S5: Precipitating IrOx. -- S6. Influence on the OER by the gold substrates. -- S7: Surface area activity at the oxygen evolution reaction., Complementary CVs, CAs, FE-SEM images and EDX analysis of the prepared IrO2 films after GDR are provided., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/341359
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341359
HANDLE: http://hdl.handle.net/10261/341359
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341359
PMID: http://hdl.handle.net/10261/341359
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341359
Ver en: http://hdl.handle.net/10261/341359
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341359

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341373
Dataset. 2023

SOURCE DATA FOR MANUSCRIPT &QUOT;REAL-TIME MICROSCOPY OF THE RELAXATION OF A GLASS&QUOT;

  • Ruiz-Ruiz, Marta
  • Vila-Costa, Ana
  • Bar, Tapas
  • Rodríguez-Tinoco, Cristian
  • González-Silveira, Marta
  • Plaza, José Antonio
  • Alcalá, Jorge
  • Fraxedas, J.
  • Rodríguez-Viejo, Javier
Source data for manuscript "Real-time microscopy of the relaxation of a glass" (DOI: 10.1038/s41567-023-02125-0), including: AFM source images and data points for all plots in the manuscript., AFM images Figures 1, 3, 4.rar, Figure 1c profile centre.txt, Figure 1c profile left.txt, Figure 1c profile right.txt, Figure 1d.txt, Figure 2c AFM.txt, Figure 2c FEM.txt, Figure 3a inset.txt, Figure 3a.txt, Figure 4a Growth1.txt, Figure 4a Growth2.txt, Figure 4a Growth3.txt, Figure 4a Growth4.txt, Figure 4a Growth5.txt, Figure 4a Growth6.txt, Figure 4a Growth7.txt, Figure 4b.txt, Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/341373
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341373
HANDLE: http://hdl.handle.net/10261/341373
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341373
PMID: http://hdl.handle.net/10261/341373
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341373
Ver en: http://hdl.handle.net/10261/341373
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341373

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341377
Dataset. 2023

PALLADIUM HYDRIDE ON C2N TO BOOST FORMATE OXIDATION [DATASET]

  • Wang, Xiang
  • Montaña-Mora, Guillem
  • Han, Xu
  • Yu, Jing
  • Qi, Xueqiang
  • Arbiol, Jordi
  • Liang, Zhifu
  • Cabot, Andreu
  • Li, Junshan
11 pages. -- Experimental Section. Chemicals. -- Synthesis of Hexaaminobenzene (HAB). -- Synthesis of C2N. --Synthesis of PdH0.58@C2N, Pd@C2N, PdH0.58 and PdH0.58/C2N. -- -- Structural characterization. -- Electrochemical Measurements. -- Computational method. -- Figures S1-S8. -- Table S1. Summary of the FOR activity and stability of Pd-based nanoalloys., The lack of electrocatalysts for the formate oxidation reaction (FOR) hampers the deployment of direct formate fuel cells (DFFCs). To overcome this limitation, herein, we detail the production of palladium hydride particles supported on C2N (PdH0.58@C2N) via a facile method. PdH0.58@C2N displays excellent FOR performance, reaching current densities up to 5.6 A·mgPd–1 and stable cycling and chronoamperometric operation. The Pd lattice expands due to the hydrogen intercalation. Besides, an electronic redistribution associated with the distinct electronegativity of Pd and H is observed. Both phenomena modify the electron energy levels, enhancing the activity and stability of the composite catalyst. More specifically, differential functional theory calculations show H intercalation to downshift the Pd d-band center in Pd0.58@C2N, weakening adsorbate binding and accelerating the FOR rate-determining step., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/341377
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341377
HANDLE: http://hdl.handle.net/10261/341377
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341377
PMID: http://hdl.handle.net/10261/341377
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341377
Ver en: http://hdl.handle.net/10261/341377
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341377

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341388
Dataset. 2023

REVERSIBLE LI INTERCALATION IN LAYERED CATHODES ENABLED BY DOPANT-INDUCED MEDIUM-RANGE ORDERS [DATASET]

  • Ou, Xun
  • Luo, Junfeng
  • Zhang, Jiliang
  • Chen, Chi Liang
  • Yu, Jing
  • Hu, Jiawei
  • Chang, Chung Kai
  • Moudrakovski, Igor
  • Lau, Vincent Wing-hei
  • Zhao, Ruirui
12 pages. -- Figures S1-S15. -- Table S1. The atomic parameters obtained from Rietveld refinement result. -- Table S2. The Li+ diffusion coefficients (DLi+(×10-10cm2s-1) derived from the GITT measurements during the 10th and 50th charge/discharge., Doping could effectively tune the electrochemical performance of layered oxide cathodes in Li-ion batteries, whereas the working mechanism is usually oversimplified (i.e., a “pillar” effect). Although the Jahn–Teller effect is generally regarded as the fundamental origin of structural instability in some oxides, more polyhedral distortions are associated with pseudo-JTE (PJTE), which involves vibronic couplings. In this work, the atomic structures of doped LiCoO2 by Mg cations, F anions, and both were investigated thoroughly to reveal the atomic environments of these dopants and their influence on electrochemical performance. The function of these dopants as pillars is well discussed from the view of PJTE manipulation. Briefly, the MgO4 tetrahedra in Mg-doped LiCoO2 could suppress the charge transfer from the ligand to Co in neighboring octahedra, thus depressing PJTE. Although F doping does increase the ligand-field strength, the induced octahedral distortion reduces the structural stability dramatically. Comparatively, Mg/F co-doping generates the CoO5F–MgO4F2–CoO5F medium-range orders (MROs), which could depress both structural distortion and charge transfer in Co-centered octahedra for reduced PJTE. The reduced PJTE accounts for the improved electrochemical performance, making the co-doped LiCoO2 offer the best performance: a 70% capacity retention after 200 cycles within the potential range of 2.8–4.6 V, followed by Mg-doped LiCoO2. In contrast, although F-doping could induce an extra rock salt-like surface layer for higher capacity, its cycling improvement is rather limited. These results highlight the importance of structural modulation in enhancing the material performance and propose that the manipulation of PJTE would be an effective strategy in developing novel high-performance oxide cathodes., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/341388
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341388
HANDLE: http://hdl.handle.net/10261/341388
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341388
PMID: http://hdl.handle.net/10261/341388
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341388
Ver en: http://hdl.handle.net/10261/341388
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/341388

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