Hydrogen bond network relaxation resolved by alcohol hydration (methanol, ethanol, and glycerol)

Gong, Yinyan; Xu, Yan; Zhou, Yong; Liu, Xinjuan; Niu, Lengyuan; Huang, Yongli; Zhang, Xi; Sun, Chang Q.

doi:10.1002/jrs.5060

Cited by 42 publications

(12 citation statements)

References 63 publications

(99 reference statements)

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“…The results show the interfacial thickness to be significantly larger than the estimated 5.5 Å used previously by Li et al [14] In the literature, it has been shown that both hydroxyl and methyl groups of ethanol have distinctive hydration layers [38] and can disrupt the network of hydrogen bonds at the solution's surface. [39] As a result, the effective interfacial layer should include the hydration shells of the alcohol molecules, [40] making it larger than a lone ethanol molecule.…”

Section: Interfacial Thicknessmentioning

confidence: 50%

Surface properties of the ethanol/water mixture: Thickness and composition

Hyde

Ohshio

Nguyen

et al. 2019

Journal of Molecular Liquids

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Ethanol is a common amphiphilic solvent, often used in conjunction with water. However, despite its widespread use, key questions regarding the thickness and composition of molecules at the ethanol/water/air surface remain unclear. Recent thermodynamic analyses, Bagheri and co-authors (2016) and Santos and Reis (2018), indicated that the interfacial thickness is not constant.However, the interfacial thickness from these two analyses follows opposite trends. This study aims to provide a detailed description of the thickness and composition of the interfacial layer by combining neutron reflectivity (NR) experiments with rigorous molecular simulation. The

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Section: Interfacial Thicknessmentioning

confidence: 50%

Surface properties of the ethanol/water mixture: Thickness and composition

Hyde

Ohshio

Nguyen

et al. 2019

Journal of Molecular Liquids

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“…As a result of water solubility in alcohols reduced with increasing temperature, the alcohol regenerates in the acidic medium and forms CH 3 NH 3 + (reaction ). For the growth reactions in 1‐butanol and 2‐butanol, the perovskite growth is performed at room temperature due to their relatively limited solubility of water with the effect of their increased hydrophobic chain length …”

Section: Resultsmentioning

confidence: 99%

“…In order to minimize hydrated complexes for device fabrication, the perovskite films are rinsed with 2-propanol. [43] The energy change for the formation of PbI 3 − from the dissociation of PbI 4 2− is −0.02 eV (reaction (5)) promotes PbI 3 − to obtain in the alcohol medium. As a result of water solubility in alcohols reduced with increasing temperature, the alcohol regenerates in the acidic medium and forms CH 3 NH 3 + (reaction (11)).…”

Section: Growth Mechanismmentioning

confidence: 99%

Substitutional Growth of Methylammonium Lead Iodide Perovskites in Alcohols

Açık

Alam²,

Guo

et al. 2017

Advanced Energy Materials

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used with dimethylformamide (DMF), dimethylsulfoxide (DMSO), or gamma butyrolactone. [1b,3,4] The precursor film is then converted to the perovskite structure by annealing on a hot plate at 60-200 °C. The high temperature treatment however spoils the film properties by generating intrinsic defects, stoichiometric or compositional changes, rapid film degradation, uncontrollable perovskite precipitation, inhomogeneous perovskite crystallization at the perovskite/underlayer interface, and incomplete surface coverage with a random film texture. [5] To avoid high temperature annealing processes, solution-based methods have been developed. However, in those studies, the perovskite colloidal particles are synthesized in solution and then deposited on the underlayer film without elimination of annealing. [6][7][8] They are enabled by the addition of small molecules, use of an excess organic component, or treatment with hypophosphorous acid. Therefore, these solution reactions still require high temperature and thus cannot avoid unmanageable surface reactions resulting in nonstoichiometric dopants and phase segregation. [9] In order to lower the reaction temperature, acid-treated methods including acidcatalyzed techniques [10] and acid-base solutions [11] have been developed particularly for mixed [12,13] and single halides [14] in DMF. [15][16][17][18][19] The acid-catalyzed reactions are, in general, initiated by the formation of solvated PbI 4 2− anions that further react with CH 3 NH 3 + cations for CH 3 NH 3 PbI 3 (s) (MAPbI 3 ) Methylammonium lead iodide (MAPbI 3 ) perovskites are organic-inorganic semiconductors with long carrier diffusion lengths serving as the light-harvesting component in optoelectronics.Through a substitutional growth of MAPbI 3 catalyzed by polar protic alcohols, evidence is shown for their substrate-and annealing-free production and use of toxic solvents and high temperature is prevented. The resulting variable-sized crystals (≈100 nm-10 µm) are found to be tetragonally single-phased in alcohols and precipitated as powders that are metallic-lead-free. A comparatively low MAPbI 3 yield in toluene supports the role of alcohol polarity and the type of solvent (protic vs aprotic). The theoretical calculations suggest that overall Gibbs free energy in alcohols is lowered due to their catalytic impact. Based on this alcohol-catalyzed approach, MAPbI 3 is obtained, which is chemically stable in air up to ≈1.5 months and thermally stable (≤300 °C). This method is amendable to large-scale manufacturing and ultimately can lead to energy-efficient, low-cost, and stable devices.

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“…Although the alcohol–water mixtures are ubiquitously important to the beverage and pharmacy industries, it remains yet puzzling how the alcohols interact with water molecules and how the alcohol molecules functionalize the hydrogen bond network of liquid water and body fluid. The authors show spectrometrically that alcohol hydration softens both the HO bond and the O:H nonbond through hydrogen bond cooperative relaxation and associated charge polarization . Hu et al carried out a Raman investigation on pure D 2 O/H 2 O from 303 to 573 K with interpretation and implications for the structure of water.…”

Section: Liquids Solutions and Liquid Interactionsmentioning

confidence: 99%

Recent advances in linear and nonlinear Raman spectroscopy. Part XII

Nafie

2018

J Raman Spectroscopy

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This annual review is an overview of advances in the field of Raman spectroscopy as found in papers published in the previous calendar year in the Journal of Raman Spectroscopy (JRS), as well as in trends over the past decade across journals that have published papers important to the field of Raman spectroscopy. This information is gleaned from statistical data on article counts obtained from the Clarivate Analytic's Web of Science Core Collection by year and by subfield of Raman spectroscopy. Additional information is gleaned from presentations at the XXVI International Conference on Raman Spectroscopy (ICORS 2018) in Jeju Island, Korea in August 2018, and contributions on Raman scattering at SCIX 2018, organized by the Federation of Analytical Chemistry and Spectroscopy Societies (FACSS) in Atlanta, Georgia, USA in October 2018. Coverage is also provided for topics from the European Conference on Nonlinear Optical Spetroscopy (ECONOS 2018) held in April in Milan, Italy and GeoRaman 2018 in Catania, Italy in June. Finally, papers published in JRS in 2017 are highlighted and arranged by topics at the frontier of Raman spectroscopy. On the basis of this survey information, it is clear that Raman spectroscopy continues as in recent years as a rapidly expanding field of research across a wide range of novel disciplines and applications that provide sensitive photonic information of matter at the molecular level.

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Hydrogen bond network relaxation resolved by alcohol hydration (methanol, ethanol, and glycerol)

Cited by 42 publications

References 63 publications

Surface properties of the ethanol/water mixture: Thickness and composition

Surface properties of the ethanol/water mixture: Thickness and composition

Substitutional Growth of Methylammonium Lead Iodide Perovskites in Alcohols

Recent advances in linear and nonlinear Raman spectroscopy. Part XII

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