Chemical bond formation showing a transition from physisorption to chemisorption - PubMed

Affiliations

• PMID: 31515246
• DOI: 10.1126/science.aay3444

Chemical bond formation showing a transition from physisorption to chemisorption

Ferdinand Huber et al. Science. 2019.

Abstract

Surface molecules can transition from physisorption through weak van der Waals forces to a strongly bound chemisorption state by overcoming an energy barrier. We show that a carbon monoxide (CO) molecule adsorbed to the tip of an atomic force microscope enables a controlled observation of bond formation, including its potential transition from physisorption to chemisorption. During imaging of copper (Cu) and iron (Fe) adatoms on a Cu(111) surface, the CO was not chemically inert but transited through a physisorbed local energy minimum into a chemisorbed global minimum, and an energy barrier was seen for the Fe adatom. Density functional theory reveals that the transition occurs through a hybridization of the electronic states of the CO molecule mainly with s-, p _z -, and d _z ²-type states of the Fe and Cu adatoms, leading to chemical bonding.

Similar articles

• Structure and stability of weakly chemisorbed ethene adsorbed on low-index Cu surfaces: performance of density functionals with van der Waals interactions.

  Hanke F, Dyer MS, Björk J, Persson M. Hanke F, et al. J Phys Condens Matter. 2012 Oct 24;24(42):424217. doi: 10.1088/0953-8984/24/42/424217. Epub 2012 Oct 3. J Phys Condens Matter. 2012. PMID: 23031831

• Effect of van der Waals interactions on the chemisorption and physisorption of phenol and phenoxy on metal surfaces.

  Peköz R, Donadio D. Peköz R, et al. J Chem Phys. 2016 Sep 14;145(10):104701. doi: 10.1063/1.4962236. J Chem Phys. 2016. PMID: 27634269

• Physisorption, Diffusion, and Chemisorption Pathways of H2 Molecule on Graphene and on (2,2) Carbon Nanotube by First Principles Calculations.

  Costanzo F, Silvestrelli PL, Ancilotto F. Costanzo F, et al. J Chem Theory Comput. 2012 Apr 10;8(4):1288-94. doi: 10.1021/ct300143a. Epub 2012 Mar 26. J Chem Theory Comput. 2012. PMID: 26596745

• Realization of either physisorption or chemisorption of 2H-tetraphenylporphyrin on the Cu(111) from density functional theory.

  Naseri S, Abbas G, Johansson G, Koumpouras K, Baran JD, Larsson JA. Naseri S, et al. J Phys Condens Matter. 2024 Mar 14;36(23). doi: 10.1088/1361-648X/ad2e27. J Phys Condens Matter. 2024. PMID: 38417164

Cited by

• Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy.

  Chen P, Fan D, Selloni A, Carter EA, Arnold CB, Zhang Y, Gross AS, Chelikowsky JR, Yao N. Chen P, et al. Nat Commun. 2023 Mar 16;14(1):1460. doi: 10.1038/s41467-023-37023-9. Nat Commun. 2023. PMID: 36928085 Free PMC article.

• On-surface synthesis of ballbot-type N-heterocyclic carbene polymers.

  Ren J, Koy M, Osthues H, Lammers BS, Gutheil C, Nyenhuis M, Zheng Q, Xiao Y, Huang L, Nalop A, Dai Q, Gao HJ, Mönig H, Doltsinis NL, Fuchs H, Glorius F. Ren J, et al. Nat Chem. 2023 Dec;15(12):1737-1744. doi: 10.1038/s41557-023-01310-1. Epub 2023 Aug 28. Nat Chem. 2023. PMID: 37640855

• Liquid-activated quantum emission from pristine hexagonal boron nitride for nanofluidic sensing.

  Ronceray N, You Y, Glushkov E, Lihter M, Rehl B, Chen TH, Nam GH, Borza F, Watanabe K, Taniguchi T, Roke S, Keerthi A, Comtet J, Radha B, Radenovic A. Ronceray N, et al. Nat Mater. 2023 Oct;22(10):1236-1242. doi: 10.1038/s41563-023-01658-2. Epub 2023 Aug 31. Nat Mater. 2023. PMID: 37652991 Free PMC article.

• Innovative Adsorbents for Pollutant Removal: Exploring the Latest Research and Applications.

  Akhtar MS, Ali S, Zaman W. Akhtar MS, et al. Molecules. 2024 Sep 11;29(18):4317. doi: 10.3390/molecules29184317. Molecules. 2024. PMID: 39339312 Free PMC article. Review.

• Discovery and construction of surface kagome electronic states induced by p-d electronic hybridization in Co₃Sn₂S₂.

  Huang L, Kong X, Zheng Q, Xing Y, Chen H, Li Y, Hu Z, Zhu S, Qiao J, Zhang YY, Cheng H, Cheng Z, Qiu X, Liu E, Lei H, Lin X, Wang Z, Yang H, Ji W, Gao HJ. Huang L, et al. Nat Commun. 2023 Aug 26;14(1):5230. doi: 10.1038/s41467-023-40942-2. Nat Commun. 2023. PMID: 37634043 Free PMC article.

Publication types

LinkOut - more resources

• Full Text Sources

  • Atypon
  • Ovid Technologies, Inc.