Elastic properties related energy conversions of coordination polymers and metal–organic frameworks

Li, Kai; Qin, Yan; Li, Zhigang; Guo, Tian-Meng; An, Lian-Cai; Li, Wei; Li, Na; Bu, Xian−He

doi:10.1016/j.ccr.2022.214692

Cited by 28 publications

(14 citation statements)

References 141 publications

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“…Such delamination in the bent sections undoubtedly affects the deformed local structures 39 , 40 . Due to such different interaction strengths, significant anisotropy is also found in Young’s modulus, linear compressibility, and shear modulus (Supplementary Figs 3 – 6 , Supplementary Tables 1 – 2 ) via density functional theory (DFT) calculations 41 – 43 . Further discussion on these properties can be found in Supplementary Note 1 .…”

Section: Resultsmentioning

confidence: 99%

Plastic bending in a semiconducting coordination polymer crystal enabled by delamination

et al. 2022

Nat Commun

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Coordination polymers (CPs) are a class of crystalline solids that are considered brittle, due to the dominance of directional coordination bonding, which limits their utility in flexible electronics and wearable devices. Hence, engineering plasticity into functional CPs is of great importance. Here, we report plastic bending of a semiconducting CP crystal, Cu-Trz (Trz = 1,2,3-triazolate), that originates from delamination facilitated by the discrete bonding interactions along different crystallographic directions in the lattice. The coexistence of strong coordination bonds and weak supramolecular interactions, together with the unique molecular packing, are the structural features that enable the mechanical flexibility and anisotropic response. The spatially resolved analysis of short-range molecular forces reveals that the strong coordination bonds, and the adaptive C–H···π and Cu···Cu interactions, synergistically lead to the delamination of the local structures and consequently the associated mechanical bending. The proposed delamination mechanism offers a versatile tool for designing the plasticity of CPs and other molecular crystals.

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Section: Resultsmentioning

confidence: 99%

Plastic bending in a semiconducting coordination polymer crystal enabled by delamination

et al. 2022

Nat Commun

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“…The elastic properties are of great significance for chiral piezoelectrics since they can not only reflect the mechanical properties when the devices are working but also determine the intrinsic piezoelectric performance. The elastic stiffness constants (C ij ) are first obtained through first-principles calculations [36] and listed in Table S2 and S3 S4 and S5, Supporting Information. Taking an example of G of RMPCdCl 4 , the threedimensional representation shows that the G max is 11.81 GPa along (001) <010> direction and the G min is 12.20 GPa along (À110) <110> direction.…”

Section: Elastic Properties Of R/smpcdclmentioning

confidence: 99%

Chiral 1D Hybrid Metal Halides with Piezoelectric Energy Harvesting and Sensing Properties

Zhao

et al. 2023

Small Structures

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Chiral hybrid metal halides have been widely studied in the field of photondetectors, chiral optics, and spintronics due to their great structural flexibility and suitable bandgaps. Inspired by such great progress made in the abovementioned fields, continuous efforts need to be paid to seek other interesting applications for chiral hybrid metal halides. Herein, the synthesis of a pair of one‐dimensional enantiomorphic hybrid metal halide piezoelectrics, R/SMPCdCl4(R/SMP = R/S‐2‐methylpiperazine), and their applications in piezoelectric energy harvesting and sensing are reported. Density functional theory calculations show that these chiral piezoeletrics possess low elastic properties and high piezoelectric constants (16.71, 8.39, and 7.35 pC N−1). In addition, devices made of RMPCdCl4/PDMS (PDMS = polydimethylsiloxane) composite films are fabricated for piezoelectric energy harvesting and sensing. The piezoelectric energy harvesters with optimized content of 15 wt% RMPCdCl4/PDMS show not only excellent performance with an open‐circuit voltage of 2.57 V, short‐circuit current of 0.37 μA, and power density of 0.55 μW cm−2 but also outstanding stability of more than 3500 cycles. Meanwhile, these piezoelectric energy harvesters exhibit prominent sensing properties for detecting tapping, finger bending, walking, and running. It is demonstrated that chiral hybrid metal halides hold great potential in intelligent wearable and sensing devices.

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“…Coordination polymers (CPs) are a class of crystalline complexes with various frameworks constructed by coordination bonds with metal/metal clusters and organic ligands as building units. In the last 20 years, CPs have attracted extensive attention owing to their potential various applications. − With increasing interest in fuel cell applications, CPs have entered people’s vision as a new candidate material for PEM. Compared with other proton-conductive materials being developed, CPs have high crystallinity, adjustable compositions, and structures. − Therefore, researchers can construct highly conductive CPs with good proton transport paths through reasonable design and selection of metal ions and ligands.…”

Section: Introductionmentioning

confidence: 99%

High Water-Assisted Proton Conductivities of Two Cadmium(II) Complexes Constructed from Zwitterionic Ligands

et al. 2022

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Finding more metal complexes with outstanding water stability and high proton conductivity still has important research significance for the energy field. Herein, two highly proton-conductive complexes, one hydrogen-bonded supramolecular framework (HSF) [Cd(CBIA) 2 (H 2 O) 4 ]•2H 2 O (1) and one coordination polymer (CP), {[Cd 2 (CBIA) 2 (4,4′-bipy) 2 (H 2 O) 2 ]• (CBIA)•(OH)•2H 2 O} n (2) (4,4′-bipy = 4,4′-bipyridine), were triumphantly assembled using a zwitterionic organic compound, 2-(1-(carboxymethyl)-1H-benzo[d]imidazol-3-ium-3-yl)acetate (HCBIA).In the structure of HSF 1, there are several coordination and lattice H 2 O units except for the two monodentate CBIA − anions. CP 2 with a one-dimensional (1D) cylindrical structure has free CBIA − units and free H 2 O units located in the cavity. Thanks to the ability of the uncoordinated carboxyl groups and coordination/ lattice water molecules to construct the rich H-bonding networks, both complexes exhibit super-high proton conductivities, reaching 5.09 × 10 −3 and 3.41 × 10 −3 S cm −1 under 100 °C/98% relative humidity (RH), respectively. Based on the exploration of crystal structure data, combined with the calculated activation energy, and adsorption/desorption plots of nitrogen and water vapor, the causes and differences in proton conductivity of the two complexes, especially the proton-conductive mechanism, are compared and analyzed. This study again confirms that the zwitterionic ligands can exert important effects on forming organo-inorganic hybrid materials with high proton conductivity.

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Elastic properties related energy conversions of coordination polymers and metal–organic frameworks

Cited by 28 publications

References 141 publications

Plastic bending in a semiconducting coordination polymer crystal enabled by delamination

Plastic bending in a semiconducting coordination polymer crystal enabled by delamination

Chiral 1D Hybrid Metal Halides with Piezoelectric Energy Harvesting and Sensing Properties

High Water-Assisted Proton Conductivities of Two Cadmium(II) Complexes Constructed from Zwitterionic Ligands

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