Formic acid decomposition from clean and oxidized nickel/iron (100) alloy surfaces

Silverman, Edward; Madix, Robert J.; Brundle, C. R.

doi:10.1116/1.570834

Cited by 5 publications

(3 citation statements)

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“…This stabilization is due to the acidity of the H atom in the COOH intermediate, in analogy with the acidic behavior of the hydroxyl hydrogen of formic acid which has been reported in several studies by Madix et al (see e.g. ref [59][60][61][62]…”

supporting

confidence: 74%

Density functional theory studies of HCOOH decomposition on Pd(111)

Scaranto

Mavrikakis

2016

Surface Science

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The investigation of formic acid (HCOOH) decomposition on transition metal surfaces is important to derive useful insights for vapor phase catalysis involving HCOOH and for the development of direct HCOOH fuel cells (DFAFC). Here we present the results obtained from periodic, self-consistent, density functional theory (DFT-GGA) calculations for the elementary steps involved in the gas-phase decomposition of HCOOH on Pd(111). Accordingly, we analyzed the minimum energy paths for HCOOH dehydrogenation to CO2 + H2 and dehydration to CO + H2O through the carboxyl (COOH) and formate (HCOO) intermediates. Our results suggest that HCOO formation is easier than COOH formation, but HCOO decomposition is more difficult than COOH decomposition, in particular in the presence of co-adsorbed O and OH species. Therefore, both paths may contribute to HCOOH decomposition. CO formation goes mainly through COOH decomposition.

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supporting

confidence: 74%

Density functional theory studies of HCOOH decomposition on Pd(111)

Scaranto

Mavrikakis

2016

Surface Science

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“…Several derivatization steps are possible to furnish miscellaneous derivatives of 27.C oncluding, 29 is ar esult of the reductiono f 27 in formic acid, in an ative iron and nickel-system. [85] The reduction thereby resultsf rom an in situ formation of hydrogen, from formic acid,o xidizing iron and nickelt ot heir water-soluble salts. The metal salts precipitate under alkaline conditions, while 29 remains soluble and is washed away.Alast crystallization step upon drying the supernatantr eactionm ixture gives 29.…”

Section: Eschenmoserrefined:the Realm Of the Fapysmentioning

confidence: 99%

“…However,t hese are not directly linked to the synthesis of 1. [83,97,98] The above described pathways [11,12,79,82,85] are attempts to synthesize 1 from commono rganic feedstock molecules. Different prebiotic scenarios are outlined with the commonality that all molecules mustb es ynthesized under prebiotic circumstances.…”

Section: Eschenmoserrefined:the Realm Of the Fapysmentioning

confidence: 99%

Prebiotic Nucleoside Synthesis: The Selectivity of Simplicity

Kruse

Teichert

Trapp

2020

Chemistry A European J

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Ever since the discovery of nucleic acids 150 years ago, [1] major achievements have been made in understanding andd ecrypting the fascinating scientific questions of the genetic code. [2] However,t he most fundamental question about the origin and the evolution of the genetic code remains am ystery.H ow did nature manage to build up such intriguingly complex molecules able to encodes tructure and functionf rom simple building blocks?W hat conditions were required?H ow could the precursors survivet he unhostile environment of early Earth?O ver the past decades, promising synthetic concepts were proposed providing clarity in the fieldo fp rebiotic nucleic acid research. In this Minireview,w es how the current status and various approaches to answer these fascinating questions.

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