Skip to main content
SpringerLink
Log in

Formate paddlewheel of a metal–organic framework with open metal sites as a potential adsorbent and sensor for different species of fluoride (F−, HF, F2H−): a DFT study

  • Original Paper
  • Published:
Chemical Papers Aims and scope Submit manuscript

Abstract

Removal and electronic sensitivity of three open metal sites paddlewheels (Ni-, Cu-, Zn-PWs) and two bimetal PWs toward three fluoride-containing analytes (FCA: F−, HF, and F2H−) was studied by using density functional theory (DFT). The most stable adsorption structures were those with the FCA interacting metals of PWs. Based on calculations, the adsorption energy of FCA is in the range of − 76.6 to − 111.1 kcal/mol for F−, − 11.1 to − 28.9 kcal/mol for HF, and − 40.8 to − 68.4 kcal/mol for F2H− adsorption. Also, the sensing activities of each PW were studied from three points of view band gap changing, sensing factor, and work function changes. Although the removal property of Zn-PW is well, the Cu-PW is a better case for fluoride detection. Interestingly, copper-based bi-PWs have a synergistic effect in the adsorption of FCA, so they have more favorable adsorption energy in comparison with pure Cu-PW. Thus, we suggest that Cu-PW may be used as a sensitive and multi-time reusable sensor material for fluoride detection. Simultaneously, all FCA could be removed from the environmental sample by Zn-PW.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7

Similar content being viewed by others

References

  • Abdoli Y, Razavian M, Fatemi S (2019) Bimetallic Ni–Co-based metal–organic framework: an open metal site adsorbent for enhancing CO2 capture. Appl Organomet Chem 33(8):e5004

    Article  Google Scholar 

  • Agusta MK, Saputro AG, Tanuwijaya VV, Hidayat NN, Dipojono HK (2017) Hydrogen adsorption on Fe-based metal organic frameworks: DFT study. Procedia Eng 170:136–140

    Article  CAS  Google Scholar 

  • Ayoob S, Gupta AK, Bhakat PB, Bhat VT (2008) Investigations on the kinetics and mechanisms of sorptive removal of fluoride from water using alumina cement granules. Chem Eng J 140(1–3):6–14

    Article  CAS  Google Scholar 

  • Babarinde TO, Madyira DM, Mashinini PM, Marangwanda GT (2022) Performance of multi-walled CNTs suspended with hydrocarbon refrigerant (R600a) and lubricating oil in vapour compression refrigeration system. Fuel Commun 10:100036

    Article  Google Scholar 

  • Bahrami A, Yourdkhani S, Esrafili MD, Hadipour NL (2014) A DFT study on doping assisted changing of B80 electronic structure: promising candidates for NH3 sensor. Sens Actuators B Chem 191:457–463

    Article  CAS  Google Scholar 

  • Bai B, Rao D, Chang T, Guo Z (2019) A nonlinear attachment-detachment model with adsorption hysteresis for suspension-colloidal transport in porous media. J Hydrol 578:124080

    Article  CAS  Google Scholar 

  • Beheshtian J, Peyghan AA, Bagheri Z (2012) Detection of phosgene by Sc-doped BN nanotubes: a DFT study. Sens Actuators B Chem 171:846–852

    Article  Google Scholar 

  • Chen H, Wang Q (2021) Regulatory mechanisms of lipid biosynthesis in microalgae. Biol Rev 96(5):2373–2391

    Article  CAS  PubMed  Google Scholar 

  • Chen X, Li L, Shan Y, Zhou D, Cui W, Zhao Y (2022) Notes in accordions—organized MXene equipped with CeO2 for synergistically adsorbing and catalyzing polysulfides for high-performance lithium-sulfur batteries. J Energy Chem 70:502–510

    Article  CAS  Google Scholar 

  • Cui X, Li C, Zhang Y, Ding W, An Q, Liu B, Li HN, Said Z, Sharma S, Li R, Debnath S (2022) A comparative assessment of force, temperature and wheel wear in sustainable grinding aerospace alloy using bio-lubricant. Front Mech Eng. https://doi.org/10.1007/s11465-022-0719-x

    Article  Google Scholar 

  • Dou X, Mohan D, Pittman CU Jr, Yang S (2012) Remediating fluoride from water using hydrous zirconium oxide. Chem Eng J 198:236–245

    Article  Google Scholar 

  • Drenchev N, Rosnes MH, Dietzel PDC, Albinati A, Hadjiivanov K, Georgiev PA (2018) Open Metal Sites in the Metal-Organic Framework CPO-27-Cu: Detection of Regular and Defect Copper Species by CO and NO Probe Molecules. J Phys Chem C 122(30):17238–17249

    Article  CAS  Google Scholar 

  • Duan Z, Li C, Zhang Y, Dong L, Bai X, Yang M, Jia D, Li R, Cao H, Xu X (2021) Milling surface roughness for 7050 aluminum alloy cavity influenced by nozzle position of nanofluid minimum quantity lubrication. Chin J Aeronaut 34:33–53

    Article  Google Scholar 

  • Duan Z, Li C, Zhang Y, Yang M, Gao T, Liu X, Li R, Said Z, Debnath S, Sharma S (2022) Mechanical behavior and Semiempirical force model of aerospace aluminum alloy milling using nano biological lubricant. Front Mech Eng. https://doi.org/10.1007/s11465-022-0720-4

    Article  Google Scholar 

  • Elabd AA, Elhefnawy OA (2022) A new benzeneacetic acid derivative-based sensor for assessing thorium (IV) in aqueous solution based on aggregation caused quenching (ACQ) and aggregation induced emission (AIE). J Photochem Photobiol, A 428:113866

    Article  CAS  Google Scholar 

  • Elehinafe FB, Odunlami OA, Mamudu AO, Akinsanya OO (2021) Investigation of the potentials of southwest Nigerian Napier Grass as an energy source to replace fossils used in firing thermal power plants for air emissions control. Results Eng 11:100259

    Article  CAS  Google Scholar 

  • Gao T, Li C, Yang M, Zhang Y, Jia D, Ding W, Debnath S, Yu T, Said Z, Wang J (2021) Mechanics analysis and predictive force models for the single-diamond grain grinding of carbon fiber reinforced polymers using CNT nano-lubricant. J Mater Process Technol 290:116976

    Article  CAS  Google Scholar 

  • Guan H, Huang S, Ding J, Tian F, Xu Q, Zhao J (2020) Chemical environment and magnetic moment effects on point defect formations in CoCrNi-based concentrated solid-solution alloys. Acta Mater 187:122–134

    Article  CAS  Google Scholar 

  • Guo H, Lin J, Zheng L, Yang F (2021a) An effective fluorescent sensor for ClO− in aqueous media based on thiophene-cyanostilbene Schiff-base. Spectrochim Acta Part A Mol Biomol Spectrosc 256:119744

    Article  CAS  Google Scholar 

  • Guo J, Xiao C, Gao J, Li G, Wu H, Chen L, Qian L (2021b) Interplay between counter-surface chemistry and mechanical activation in mechanochemical removal of N-faced GaN surface in humid ambient. Tribol Int 159:107004

    Article  CAS  Google Scholar 

  • Haldar D, Duarah P, Purkait MK (2020) MOFs for the treatment of arsenic, fluoride and iron contaminated drinking water: a review. Chemosphere 251:126388

    Article  CAS  PubMed  Google Scholar 

  • Hassanpour A, Ebrahimiasl S, Youseftabar-Miri L, Ebadi A, Ahmadi S, Eslami M (2021) A DFT study on the electronic detection of mercaptopurine drug by boron carbide nanosheets. Comput Theor Chem 1198:113166

    Article  CAS  Google Scholar 

  • Hongbin LU, Wang H, Shaoyong LU, Jiaxin LI, Wang T (2020) Response mechanism of typical wetland plants and removal of water pollutants under different levofloxacin concentration. Ecol Eng 158:106023

    Article  Google Scholar 

  • Huang L, Yang Z, He Y, Chai L, Yang W, Deng H, Wang H, Chen Y, Crittenden J (2020) Adsorption mechanism for removing different species of fluoride by designing of core-shell boehmite. J Hazard Mater 394:122555

    Article  CAS  PubMed  Google Scholar 

  • Huang L, Yang Z, Lei D, Liu F, He Y, Wang H, Luo J (2021) Experimental and modeling studies for adsorbing different species of fluoride using lanthanum–aluminum perovskite. Chemosphere 263:128089

    Article  CAS  PubMed  Google Scholar 

  • Illyaskutty N, Kohler H, Trautmann T, Schwotzer M, Pillai VPM (2013) Enhanced ethanol sensing response from nanostructured MoO3:ZnO thin films and their mechanism of sensing. J Mater Chem C 1(25):3976–3984

    Article  CAS  Google Scholar 

  • Ilyas Q, Waseem MT, Junaid HM, Khan ZA, Munir F, Shaikh AJ, Shahzad SA (2022) Fluorescein based fluorescent and colorimetric sensors for sensitive detection of TNP explosive in aqueous medium: application of logic gate. Spectrochim Acta Part A Mol Biomol Spectrosc 272:120994

    Article  CAS  Google Scholar 

  • Isidro-Ortega FJ, Pacheco-Sánchez JH, González-Ruíz A, Alejo R (2020) DFT study of hydrogen storage on the metallic decoration of boron substitution on zeolite templated carbon vacancy. Int J Hydrogen Energy 45(38):19505–19515

    Article  CAS  Google Scholar 

  • Jiang J, Guo Y, Huang Z, Zhang Y, Wu D, Liu Y (2022) Adjacent surface trajectory planning of robot-assisted tooth preparation based on augmented reality. Eng Sci Technol Int J 27:101001

    Google Scholar 

  • Jindal G, Kaur N (2022) Fluorimetric quantification of picric acid in aqueous medium via smartphone and invisible ink applications using pyrene based sensor. Inorg Chem Commun 140:109481

    Article  CAS  Google Scholar 

  • Kandemir E, Özkütük M, Aydıner B, Seferoğlu N, Erer H, Seferoğlu Z (2022) Novel fluorescent coumarin-thiazole based sensors for selective determination of cyanide in aqueous media. J Mol Struct 1249:131593

    Article  CAS  Google Scholar 

  • Kulkarni AR, Sholl DS (2016) Screening of copper open metal site MOFs for olefin/paraffin separations using DFT-derived force fields. J Phys Chem C 120(40):23044–23054

    Article  CAS  Google Scholar 

  • Kumar R, Goel N, Kumar M (2017) UV-activated MoS2 based fast and reversible NO2 sensor at room temperature. ACS Sensors 2(11):1744–1752

    Article  CAS  PubMed  Google Scholar 

  • Li J-H, Wu J, Yu Y-X (2021a) DFT exploration of sensor performances of two-dimensional WO3 to ten small gases in terms of work function and band gap changes and IV responses. Appl Surf Sci 546:149104

    Article  CAS  Google Scholar 

  • Li Y, Zhang X, Lan J, Li D, Wang Z, Xu P, Sun J (2021b) A high-performance zinc-organic framework with accessible open metal sites catalyzes CO2 and styrene oxide into styrene carbonate under mild conditions. ACS Sustain Chem Eng 9(7):2795–2803

    Article  CAS  Google Scholar 

  • Li T, Pang H, Wu Q, Huang M, Xu J, Zheng L, Wang B, Qiao Y (2022a) Rigid Schiff base complex supermolecular aggregates as a high-performance pH probe: study on the enhancement of the aggregation-caused quenching (ACQ) effect via the substitution of halogen atoms. Int J Mol Sci 23(11):6259

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Li T, Shang D, Gao S, Wang B, Kong H, Yang G, Shu W, Xu P, Wei G (2022b) Two-dimensional material-based electrochemical sensors/biosensors for food safety and biomolecular detection. Biosensors 12(5):314

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Li T, Yin W, Gao S, Sun Y, Xu P, Wu S, Kong H, Yang G, Wei G (2022c) The combination of two-dimensional nanomaterials with metal oxide nanoparticles for gas sensors: a review. Nanomaterials 12(6):982

    Article  PubMed  PubMed Central  Google Scholar 

  • Liu W, Huang F, Liao Y, Zhang J, Ren G, Zhuang Z, Zhen J, Lin Z, Wang C (2008) Treatment of CrVI-containing Mg(OH)2 nanowaste. Angew Chem 120(30):5701–5704

    Article  Google Scholar 

  • Liu H, Yang J, Jia Y, Wang Z, Jiang M, Shen K, Zhao H, Guo Y, Guo Y, Wang L (2021a) Significant improvement of catalytic performance for chlorinated volatile organic compound oxidation over RuOx supported on acid-etched Co3O4. Environ Sci Technol 55(15):10734–10743

    Article  CAS  PubMed  Google Scholar 

  • Liu J, Sui MAO, Song S, Huang L, Belfiore LA, Tang J (2021b) Towards applicable photoacoustic micro-fluidic pumps: tunable excitation wavelength and improved stability by fabrication of Ag–Au alloying nanoparticles. J Alloy Compd 884:161091

    Article  CAS  Google Scholar 

  • Liu W, Zheng Y, Wang Z, Wang Z, Yang J, Chen M, Qi M, Ur Rehman S, Shum PP, Zhu L (2021c) Ultrasensitive exhaled breath sensors based on anti-resonant hollow core fiber with in situ grown ZnO-Bi2O3 nanosheets. Adv Mater Interfaces 8(6):2001978

    Article  CAS  Google Scholar 

  • Liu S, Sai Q, Wang S, Williams J (2022) Effects of laser surface texturing and lubrication on the vibrational and tribological performance of sliding contact. Lubricants 10(1):10

    Article  Google Scholar 

  • Ma J, Zhou B, Zhang H, Zhang W (2020) Fe/S modified sludge-based biochar for tetracycline removal from water. Powder Technol 364:889–900

    Article  CAS  Google Scholar 

  • Meier LA, Schvval AB, Ulacco SB, Lorenzetti AS, Vidal E, Domini C, Morgade CIN (2022) Study of phase-pure TiO2 for the removal of fluorides in water. Mater Today Commun 31:103389

    Article  CAS  Google Scholar 

  • Mohapatra M, Padhi T, Anand S, Mishra BK (2012) CTAB mediated Mg-doped nano Fe2O3: synthesis, characterization, and fluoride adsorption behavior. Desalin Water Treat 50(1–3):376–386

    Article  CAS  Google Scholar 

  • O’boyle N. M., Tenderholt, A. L., Langner, K. M. (2008) Cclib: a library for package-independent computational chemistry algorithms. J Comput Chem 29((5):):839–845

    Article  Google Scholar 

  • Pirillo J, Hijikata Y (2019) Trans influence across a metal-metal bond of a paddle-wheel unit on interaction with gases in a metal-organic framework. Inorg Chem 59(2):1193–1203

    Article  PubMed  Google Scholar 

  • Rad AS, Nasimi N, Jafari M, Shabestari DS, Gerami E (2015) Ab-initio study of interaction of some atmospheric gases (SO2, NH3, H2O, CO, CH4 and CO2) with polypyrrole (3PPy) gas sensor: DFT calculations. Sens Actuators, B Chem 220:641–651

    Article  CAS  Google Scholar 

  • Rosnes MH, Pato-Doldán B, Johnsen RE, Mundstock A, Caro J, Dietzel PDC (2020) Role of the metal cation in the dehydration of the microporous metal–organic frameworks CPO-27-M. Microporous Mesoporous Mater 309:110503

    Article  CAS  Google Scholar 

  • Rostamnia S, Mohsenzad F (2018) Nanoarchitecturing of open metal site Cr-MOFs for oxodiperoxo molybdenum complexes [MoO(O2)2@En/MIL-100 (Cr)] as promising and bifunctional catalyst for selective thioether oxidation. Mol Catal 445:12–20

    Article  CAS  Google Scholar 

  • Sanukrishna SS, Jose VM (2022) Evaluation of thermal and rheological characteristics of CNT-PAG nanolubricant for the development of energy efficient refrigeration systems. Mater Today: Proc 58:114–120

    Google Scholar 

  • Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Su S, Windus TL, Dupuis M, Montgomery JA Jr (1993) General atomic and molecular electronic structure system. J Comput Chem 14(11):1347–1363

    Article  CAS  Google Scholar 

  • Sekar S, Panchu SE, Kolanthai E, Rajaram V, Subbaraya NK (2022) Enhanced stability of hydroxyapatite/sodium alginate nanocomposite for effective fluoride adsorption. Mater Today Proc 58:909–917

    Article  CAS  Google Scholar 

  • Shan Y, Li L, Chen X, Fan S, Yang H, Jiang Y (2022) Gentle haulers of lithium-ion–nanomolybdenum carbide fillers in solid polymer electrolyte. ACS Energy Lett 7:2289–2296

    Article  CAS  Google Scholar 

  • Shi F, Wang Z, Zhu K, Zhu X, Yang W (2022) Enhancing activity and stability of Co-MOF-74 for oxygen evolution reaction by wrapping polydopamine. Electrochim Acta 416:140293

    Article  CAS  Google Scholar 

  • Tang X, Wu J, Wu W, Zhang Z, Zhang W, Zhang Q, Zhang W, Chen X, Li P (2020) Competitive-type pressure-dependent immunosensor for highly sensitive detection of diacetoxyscirpenol in wheat via monoclonal antibody. Anal Chem 92(5):3563–3571

    Article  CAS  PubMed  Google Scholar 

  • Tang L, Zhang Y, Li C, Zhou Z, Nie X, Chen Y, Cao H, Liu B, Zhang N, Said Z, Debnath S, Jamil M, Ali HM, Sharma S (2022) Biological stability of water-based cutting fluids: progress and application. Chin J Mech Eng 35(1):3. https://doi.org/10.1186/s10033-021-00667-z

    Article  CAS  Google Scholar 

  • Tayyebi M, Yamini Y, Moradi M (2012) Reverse micelle-mediated dispersive liquid–liquid microextraction of 2,4-dichlorophenoxyacetic acid and 4-chloro-2-methylphenoxyacetic acid. J Sep Sci 35:2491

    Article  CAS  PubMed  Google Scholar 

  • Wang Y, Li C, Zhang Y, Yang M, Li B, Dong L, Wang J (2018) Processing characteristics of vegetable oil-based nanofluid MQL for grinding different workpiece materials. Int J Precis Eng Manuf Green Technol 5(2):327–339

    Article  CAS  Google Scholar 

  • Wang L, Huang Y, Zhou D, Chen X, Zhao H, Li X, Hughes SS, Zhang P, He P, Zhang G (2021) Efficient removal of fluoride from neutral wastewater by green synthesized Zr/calcium sulfate whiskers: an experimental and theoretical study. Colloids Surf A 630:127587

    Article  CAS  Google Scholar 

  • Wang X, Li C, Zhang Y, Ali HM, Sharma S, Li R, Yang M, Said Z, Liu X (2022a) Tribology of enhanced turning using biolubricants: a comparative assessment. Tribol Int 174:107766

    Article  CAS  Google Scholar 

  • Wang Y, Wu X, Liu J, Zhai Z, Yang Z, Xia J, Deng S, Qu X, Zhang H, Wu D (2022b) Mo-modified band structure and enhanced photocatalytic properties of tin oxide quantum dots for visible-light driven degradation of antibiotic contaminants. J Environ Chem Eng 10(1):107091

    Article  CAS  Google Scholar 

  • Wu Z, Li C, Zhang F, Huang S, Wang F, Wang X, Jiao H (2022) High-performance ultra-narrow-band green-emitting phosphor LaMgAl11O19:Mn2+ for wide color-gamut WLED backlight displays. J Mater Chem C 10(19):7443–7448

    Article  CAS  Google Scholar 

  • Yamini Y, Moradi M (2014) Influence of topological defects on the nitrogen monoxide-sensing characteristics of graphene-analogue BN. Sens Actuators B Chem 197:274–279

    Article  CAS  Google Scholar 

  • Yang M, Li C, Zhang Y, Jia D, Zhang X, Hou Y, Li R, Wang J (2017a) Maximum undeformed equivalent chip thickness for ductile-brittle transition of zirconia ceramics under different lubrication conditions. Int J Mach Tools Manuf 122:55–65

    Article  Google Scholar 

  • Yang M, Li C, Zhang Y, Wang Y, Li B, Jia D, Hou Y, Li R (2017b) Research on microscale skull grinding temperature field under different cooling conditions. Appl Therm Eng 126:525–537

    Article  Google Scholar 

  • Yang M, Li C, Zhang Y, Jia D, Li R, Hou Y, Cao H, Wang J (2019a) Predictive model for minimum chip thickness and size effect in single diamond grain grinding of zirconia ceramics under different lubricating conditions. Ceram Int 45(12):14908–14920

    Article  CAS  Google Scholar 

  • Yang Y, Wang S, Wen H, Ye T, Chen J, Li C, Du M (2019b) Nanoporous gold embedded ZIF composite for enhanced electrochemical nitrogen fixation. Angew Chem Int Ed 58(43):15362–15366

    Article  CAS  Google Scholar 

  • Yang L, Dai Q, Liu L, Shao D, Luo K, Jamil S, Liu H, Luo Z, Chang B, Wang X (2020) Rapid sintering method for highly conductive Li7La3Zr2O12 ceramic electrolyte. Ceram Int 46(8):10917–10924

    Article  CAS  Google Scholar 

  • Yang Y, Zhu H, Xu X, Bao L, Wang Y, Lin H, Zheng C (2021) Construction of a novel lanthanum carbonate-grafted ZSM-5 zeolite for effective highly selective phosphate removal from wastewater. Microporous Mesoporous Mater 324:111289

    Article  CAS  Google Scholar 

  • Yang Y, Wang Y, Zheng C, Lin H, Xu R, Zhu H, Bao L, Xu X (2022a) Lanthanum carbonate grafted ZSM-5 for superior phosphate uptake: Investigation of the growth and adsorption mechanism. Chem Eng J 430:133166

    Article  CAS  Google Scholar 

  • Yang Y, Yang M, Li C, Li R, Said Z, Ali HM, Sharma S (2022b) Machinability of ultrasonic vibration assisted micro-grinding in biological bone using nanolubricant. Front Mech Eng. https://doi.org/10.1007/s11465-022-0717-z

    Article  Google Scholar 

  • Yu C, Chen X, Li N, Zhang Y, Li S, Chen J, Yao L, Lin K, Lai Y, Deng X (2022a) Ag3PO4-based photocatalysts and their application in organic-polluted wastewater treatment. Environ Sci Pollut Res 29(13):18423–18439. https://doi.org/10.1007/s11356-022-18591-7

    Article  CAS  Google Scholar 

  • Yu F, Zhu Z, Li C, Li W, Liang R, Yu S, Xu Z, Song F, Ren Q, Zhang Z (2022b) A redox-active perylene-anthraquinone donor-acceptor conjugated microporous polymer with an unusual electron delocalization channel for photocatalytic reduction of uranium (VI) in strongly acidic solution. Appl Catal B 314:121467

    Article  CAS  Google Scholar 

  • Yue Z, Feng L, Feng W (2022) UiO-66 metal-organic framework integrated Michelson interferometer for fluoride-ion detection. Opt Fiber Technol 70:102885

    Article  CAS  Google Scholar 

  • Zha B, Fang S, Chen H, Guo H, Yang F (2022) An effective dual sensor for Cu2+ and Zn2+ with long-wavelength fluorescence in aqueous media based on biphenylacrylonitrile Schiff-base. Spectrochim Acta Part A Mol Biomol Spectrosc 269:120765

    Article  CAS  Google Scholar 

  • Zhang J, Li C, Zhang Y, Yang M, Jia D, Liu G, Hou Y, Li R, Zhang N, Wu Q (2018) Experimental assessment of an environmentally friendly grinding process using nanofluid minimum quantity lubrication with cryogenic air. J Clean Prod 193:236–248

    Article  CAS  Google Scholar 

  • Zhang Y, Gao L, Ma S, Hu T (2022a) Cd(II) coordination polymer as a strip based fluorescence sensor for sensing Fe3+ ions in aqueous system. Spectrochim Acta Part A Mol Biomol Spectrosc 267:120525

    Article  CAS  Google Scholar 

  • Zhang T, Yang L, Zhang C, Feng Y, Wang J, Shen Z, Chen Q, Lei Q, Chi Q (2022b) Polymer dielectric films exhibiting superior high-temperature capacitive performance by utilizing an inorganic insulation interlayer. Mater Horiz 9(4):1273–1282

    Article  CAS  PubMed  Google Scholar 

  • Zhang Z, Yang Q, Yu Z, Wang H, Zhang T (2022c) Influence of Y2O3 addition on the microstructure of TiC reinforced Ti-based composite coating prepared by laser cladding. Mater Charact 189:111962

    Article  CAS  Google Scholar 

  • Zhenjing D, Changhe LI, Zhang Y, Lan D, Xiufang BAI, Min Y, Dongzhou JIA, Runze LI, Huajun CAO, Xuefeng XU (2021) Milling surface roughness for 7050 aluminum alloy cavity influenced by nozzle position of nanofluid minimum quantity lubrication. Chin J Aeronaut 34(6):33–53

    Article  Google Scholar 

  • Zhu L, Liang G, Guo C, Xu M, Wang M, Wang C, Zhang Z, Du M (2022) A new strategy for the development of efficient impedimetric tobramycin aptasensors with metallo-covalent organic frameworks (MCOFs). Food Chem 366:130575

    Article  CAS  PubMed  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Semiconductors, Materials, and Energy Research Center (MERC), P.O. Box 31787-316, Tehran, Iran

    Morteza Moradi

Authors
  1. Morteza Moradi
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Morteza Moradi.

Ethics declarations

Conflict of interest

The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

Additional information

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Rights and permissions

Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Moradi, M. Formate paddlewheel of a metal–organic framework with open metal sites as a potential adsorbent and sensor for different species of fluoride (F−, HF, F2H−): a DFT study. Chem. Pap. 76, 7811–7822 (2022). https://doi.org/10.1007/s11696-022-02453-0

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11696-022-02453-0

Keywords

Search

Navigation