scholarly journals Engineering entangled photon pairs with metal-organic frameworks

2020 ◽  
Author(s):  
Rubén Alejandro Fritz Fritz ◽  
Felipe Andres Herrera Urbina ◽  
Yamil J. Colón
Keyword(s):  
Metal Organic Frameworks ◽  
Photon Pairs ◽  
Metal Organic ◽  
Entangled Photon Pairs

scholarly journals Engineering entangled photon pairs with metal–organic frameworks

2021 ◽  
Author(s):  
Rubén A. Fritz ◽  
Yamil J. Colón ◽  
Felipe Herrera
Keyword(s):  
Frequency Conversion ◽  
Metal Organic Frameworks ◽  
Optical Frequency ◽  
New Materials ◽  
Optical Frequency Conversion ◽  
Photon Pairs ◽  
Metal Organic ◽  
Entangled Photon Pairs ◽  
Conversion Efficiencies

The discovery and design of new materials with competitive optical frequency conversion efficiencies can accelerate the development of scalable photonic quantum technologies.

scholarly journals Engineering Entangled Photon Pairs with Metal-Organic Frameworks

2020 ◽  
Author(s):  
Ruben Fritz ◽  
Yamil J. Colon ◽  
Felipe Herrera
Keyword(s):  
Frequency Conversion ◽  
Pair Correlation ◽  
Metal Organic Frameworks ◽  
Coincidence Detection ◽  
Assessment Tools ◽  
Type I ◽  
Structure Property ◽  
Photon Pairs ◽  
Metal Organic ◽  
Entangled Photon Pairs

<div><div><div><p>The discovery and design of new materials with competitive optical frequency conversion effi- ciencies can accelerate the development of scalable photonic quantum technologies. Metal-organic framework (MOF) crystals without inversion symmetry have shown potential for these applications, given their nonlinear optical properties and the combinatorial number of possibilities for MOF self-assembly. In order to accelerate the discovery of MOF materials for quantum optical technolo- gies, scalable computational assessment tools are needed. We develop a multi-scale methodology to study the wavefunction of entangled photon pairs generated by selected non-centrosymmetric MOF crystals via spontaneous parametric down-conversion (SPDC). Starting from an optimized crystal structure, we predict the shape of the G(2) intensity correlation function for coincidence detection of the entangled pairs, produced under conditions of collinear type-I phase matching. The effective nonlinearities and photon pair correlation times obtained are comparable to those available with inorganic crystal standards. Our work thus provides fundamental insights into the structure-property relationships for entangled photon generation with metal-organic frameworks, paving the way for the automated discovery of molecular materials for optical quantum technology.</p></div></div></div>

scholarly journals Engineering Entangled Photon Pairs with Metal-Organic Frameworks

2020 ◽  
Author(s):  
Ruben Fritz ◽  
Yamil J. Colon ◽  
Felipe Herrera
Keyword(s):  
Frequency Conversion ◽  
Pair Correlation ◽  
Metal Organic Frameworks ◽  
Coincidence Detection ◽  
Assessment Tools ◽  
Type I ◽  
Structure Property ◽  
Photon Pairs ◽  
Metal Organic ◽  
Entangled Photon Pairs

<div><div><div><p>The discovery and design of new materials with competitive optical frequency conversion effi- ciencies can accelerate the development of scalable photonic quantum technologies. Metal-organic framework (MOF) crystals without inversion symmetry have shown potential for these applications, given their nonlinear optical properties and the combinatorial number of possibilities for MOF self-assembly. In order to accelerate the discovery of MOF materials for quantum optical technolo- gies, scalable computational assessment tools are needed. We develop a multi-scale methodology to study the wavefunction of entangled photon pairs generated by selected non-centrosymmetric MOF crystals via spontaneous parametric down-conversion (SPDC). Starting from an optimized crystal structure, we predict the shape of the G(2) intensity correlation function for coincidence detection of the entangled pairs, produced under conditions of collinear type-I phase matching. The effective nonlinearities and photon pair correlation times obtained are comparable to those available with inorganic crystal standards. Our work thus provides fundamental insights into the structure-property relationships for entangled photon generation with metal-organic frameworks, paving the way for the automated discovery of molecular materials for optical quantum technology.</p></div></div></div>

Metal-Organic Frameworks

2021 ◽  
Author(s):  
Lars Öhrström ◽  
Francoise M. Amombo Noa
Keyword(s):  
Metal Organic Frameworks ◽  
Metal Organic

Substrate templated synthesis of single-phase and uniform Zr-porphyrin-based metal–organic frameworks

2020 ◽  
Vol 7 (1) ◽  
pp. 221-231
Author(s):  
Seong Won Hong ◽  
Ju Won Paik ◽  
Dongju Seo ◽  
Jae-Min Oh ◽  
Young Kyu Jeong ◽  
...  
Keyword(s):  
Chemical Bath Deposition ◽  
Single Phase ◽  
Metal Organic Frameworks ◽  
Templated Synthesis ◽  
Pore Structures ◽  
Phase Pure ◽  
Metal Organic ◽  
Cbd Method

We successfully demonstrate that the chemical bath deposition (CBD) method is a versatile method for synthesizing phase-pure and uniform MOFs by controlling their nucleation stages and pore structures.

Tuning the Redox Activity of Metal−Organic Frameworks for Enhanced, Selective O2 Binding

2019 ◽  
Author(s):  
Andrew Rosen ◽  
M. Rasel Mian ◽  
Timur Islamoglu ◽  
Haoyuan Chen ◽  
Omar Farha ◽  
...  
Keyword(s):  
Density Functional ◽  
Metal Organic Frameworks ◽  
Redox Activity ◽  
Screening Methods ◽  
Bridging Ligands ◽  
Metal Centers ◽  
Computational Screening ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Unsaturated Metal Sites

<p>Metal−organic frameworks (MOFs) with coordinatively unsaturated metal sites are appealing as adsorbent materials due to their tunable functionality and ability to selectively bind small molecules. Through the use of computational screening methods based on periodic density functional theory, we investigate O<sub>2</sub> and N<sub>2</sub> adsorption at the coordinatively unsaturated metal sites of several MOF families. A variety of design handles are identified that can be used to modify the redox activity of the metal centers, including changing the functionalization of the linkers (replacing oxido donors with sulfido donors), anion exchange of bridging ligands (considering μ-Br<sup>-</sup>, μ-Cl<sup>-</sup>, μ-F<sup>-</sup>, μ-SH<sup>-</sup>, or μ-OH<sup>-</sup> groups), and altering the formal oxidation state of the metal. As a result, we show that it is possible to tune the O<sub>2</sub> affinity at the open metal sites of MOFs for applications involving the strong and/or selective binding of O<sub>2</sub>. In contrast with O<sub>2</sub> adsorption, N<sub>2</sub> adsorption at open metal sites is predicted to be relatively weak across the MOF dataset, with the exception of MOFs containing synthetically elusive V<sup>2+</sup> open metal sites. As one example from the screening study, we predict that exchanging the μ-Cl<sup>-</sup> ligands of M<sub>2</sub>Cl<sub>2</sub>(BBTA) (H<sub>2</sub>BBTA = 1<i>H</i>,5<i>H</i>-benzo(1,2-d:4,5-d′)bistriazole) with μ-OH<sup>-</sup> groups would significantly enhance the strength of O<sub>2</sub> adsorption at the open metal sites without a corresponding increase in the N<sub>2</sub> affinity. Experimental investigation of Co<sub>2</sub>Cl<sub>2</sub>(BBTA) and Co<sub>2</sub>(OH)<sub>2</sub>(BBTA) confirms that the former exhibits only weak physisorption, whereas the latter is capable of chemisorbing O<sub>2</sub> at room temperature. The chemisorption behavior is attributed to the greater electron-donating character of the μ-OH<sup>-</sup><sub> </sub>ligands and the presence of H-bonding interactions between the μ-OH<sup>-</sup> bridging ligands and the O<sub>2</sub> adsorbate.</p>

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