Stabilization of Hydroxide Ions at the Interface of a Hydrophobic Monolayer on Water via Reduced Proton Transfer

Yang, Shanshan; Chen, Mohan; Su, Yudan; Xu, Jianhang; Wu, Xifan; Tian, Chuanshan

doi:10.1103/physrevlett.125.156803

Title: Stabilization of Hydroxide Ions at the Interface of a Hydrophobic Monolayer on Water via Reduced Proton Transfer

Journal Article · Fri Oct 09 00:00:00 EDT 2020 · Physical Review Letters

DOI:https://doi.org/10.1103/physrevlett.125.156803· OSTI ID:1853199

Yang, Shanshan ^[1]; Chen, Mohan ^[2]; Su, Yudan ^[1];

^[3]; Wu, Xifan ^[3];

^[1]

Fudan Univ., Shanghai (China)
Peking Univ., Beijing (China)
Temple Univ., Philadelphia, PA (United States)

We report a joint study using surface-specific sum-frequency vibrational spectroscopy and ab initio molecular dynamics simulations, respectively, on a pristine hydrophobic (sub)monolayer hexane-water interface, namely, the hexane/water interface with varied vapor pressures of hexane and different pHs in water. We show clear evidence that hexane on water revises the interfacial water structure in a way that stabilizes the hypercoordinated solvation structure and slows down the migration of hydroxide ion (OH^–) relative to that in bulk water. Furthermore, this mechanism effectively attracts the OH^– to the water-hydrophobic interface with respect to its counterion. The result illustrates the striking difference of proton transfer of hydrated OH^– at the interface and in the bulk, which is responsible for the intrinsic charging effect at the hydrophobic interface.

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Research Organization:: Princeton Univ., NJ (United States); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Natural Science Foundation of China (NSFC)

Grant/Contract Number:: SC0019394; AC02-05CH11231; 11874123

OSTI ID:: 1853199

Journal Information:: Physical Review Letters, Vol. 125, Issue 15; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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