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Ammonia has strong poisoning effects on cathode catalyst layers of proton exchange membrane (PEM) fuel cells, but the poisoning mechanism is still unclear. In this study, all-atom molecular dynamics simulations are employed to investigate…

Chemical Physics · Physics 2026-05-13 Yichao Huang , Zhen Zeng , Tianyou Wang , Zhizhao Che

We report experimental and theoretical evidence that solid molecular ammonia becomes unstable at room temperature and high pressures and transforms into an ionic crystalline form. This material has been characterised in both hydrogenated…

Materials Science · Physics 2014-01-08 S. Ninet , F. Datchi , P. Dumas , M. Mezouar , G. Garbarino , A. Mafety , C. J. Pickard , R. J. Needs , A. M. Saitta

Partitioning of elemental nitrogen in star-forming regions is not well constrained. Most nitrogen is expected to be partitioned among atomic nitrogen, molecular nitrogen (N2), and icy N-bearing molecules, such as ammonia (NH3) and N2.…

Astrophysics of Galaxies · Physics 2018-03-21 Kenji Furuya , Magnus V. Persson

The deuteration of ammonia by D atoms has been investigated experimentally in the sub-monolayer regime on realistic analogues of interstellar dust grain surfaces. About 0.8 monolayer of solid NH3 was deposited on top of an oxidized graphite…

Instrumentation and Methods for Astrophysics · Physics 2018-04-25 Henda Chaabouni , Marco Minissale , Saoud Baouche , François Dulieu

While largely studied on the macroscopic scale, the dynamics leading to nucleation and fission processes in atmospheric aerosols are still poorly understood at the molecular level. Here, we present a joint experimental-theoretical study of…

Deeply inside dense molecular clouds and protostellar disks, the interstellar ices are protected from stellar energetic UV photons. However, X-rays and energetic cosmic rays can penetrate inside these regions triggering chemical reactions,…

Instrumentation and Methods for Astrophysics · Physics 2015-05-14 S. Pilling , E. Seperuelo Duarte , E. F. da Silveira , E. Balanzat , H. Rothard , A. Domaracka , P. Boduch

We present experimental constraints on the insertion of oxygen atoms into methane to form methanol in astrophysical ice analogs. In gas-phase and theoretical studies this process has previously been demonstrated to have a very low or…

Earth and Planetary Astrophysics · Physics 2017-08-23 Jennifer B. Bergner , Karin I. Oberg , Mahesh Rajappan

The nitrogen chemical evolution during star and planet formation is still not fully understood. Ammonia (NH$_3$) is a key specie in the understanding of the molecular evolution in star-forming clouds and nitrogen isotope fractionation. In…

Astrophysics of Galaxies · Physics 2022-12-21 Yoshihide Yamato , Kenji Furuya , Yuri Aikawa , Magnus V. Persson , John J. Tobin , Jes K. Jørgensen , Mihkel Kama

[abridged] We present interferometric maps of ammonia (NH3) of the nearby starburst galaxy NGC 253 [star formation rate: ~2.8 Mo yr^(-1)]. The observations have been taken with the Australia Telescope Compact Array and include the para-NH3…

Astrophysics · Physics 2009-11-11 Juergen Ott , Axel Weiss , Christian Henkel , Fabian Walter

The deuteration of molecules forming in the ices such as methanol (CH$_3$OH) is sensitive to the physical conditions during their formation in dense cold clouds and can be probed through observations of deuterated methanol in hot cores.…

Under cold compression, hydrogen bonding was considered to dominate intermolecular interaction during the ionization of ammonia. Here, we provide experimental and theoretical evidence of intermolecular HH coupling in dense ammonia. Ab…

Chemical Physics · Physics 2025-10-21 Yu Tao , Li Lei , Jingyi Liu , Binbin Wu

Adsorption of ammonia at NH3/NH2/H covered GaN(0001) surface was analyzed using results of ab initio calculations. The whole configuration space of partially NH3/NH2/H covered GaN(0001) surface was divided into zones differently pinned…

Materials Science · Physics 2016-11-09 Pawel Kempisty , Stanislaw Krukowski

The excess electron in liquid ammonia ("ammoniated electron") is commonly viewed as a cavity electron in which the s-type wave function fills the interstitial void between 6-9 ammonia molecules. Here we examine an alternative model in which…

Chemical Physics · Physics 2016-09-28 I. A. Shkrob

Context. Observations of $\rm ^{14}N/^{15}N$ in the interstellar medium are becoming more frequent thanks to the increased telescope capabilities. However, interpreting these data is still puzzling. In particular, measurements of $\rm…

Astrophysics of Galaxies · Physics 2023-06-14 Elena Redaelli , Luca Bizzocchi , Paola Caselli , Jaime E. Pineda

The charge and proton dynamics in hydrogen-bonded networks are investigated using ammonia as a model system. The fragmentation dynamics of medium-sized clusters (1-2 nm) upon single photon multi-ionization is studied, by analyzing the…

Electron-induced chemistry in imidazole (IMI) clusters embedded in helium nanodroplets (with an average size of 2$\times$10$^5$ He atoms) has been investigated with high-resoluton time-of-flight mass spectrometry. The formation of both,…

Atomic and Molecular Clusters · Physics 2018-05-03 M. Kuhn , S. Raggl , P. Martini , N. Gitzl , M. Mahmoodi Darian , M. Goulart , J. Postler , L. Feketeová , P. Scheier

Nitrogen chemistry in protoplanetary disks and the freeze-out on dust particles is key to understand the formation of nitrogen bearing species in early solar system analogs. So far, ammonia has not been detected beyond the snowline in…

The successive addition of H atoms to CO in the solid phase has been hitherto regarded as the primary route to form methanol in dark molecular clouds. However, recent Monte Carlo simulations of interstellar ices alternatively suggested the…

Astrophysics of Galaxies · Physics 2022-06-15 Julia C. Santos , Ko-Ju Chuang , Thanja Lamberts , Gleb Fedoseev , Sergio Ioppolo , Harold Linnartz

We have performed experimental investigations of methanol formation via the reactions of low energy $CH_{3}^{+}$ ions with an amorphous solid water (ASW) surface around 10 K. A newly developed experimental apparatus enabled irradiation of…

Astrophysics of Galaxies · Physics 2023-04-27 Y. Nakai , W. M. C. Sameera , K. Furuya , H. Hidaka , A. Ishibashi , N. Watanabe

Methanol and complex organic molecules have been found in cold starless cores, where a standard warm-up scenario would not work because of the absence of heat sources. A recent chemical model attributed the presence of methanol and large…

Astrophysics of Galaxies · Physics 2021-07-14 Miwa Goto , A. I. Vasyunin , B. M. Giuliano , I. Jiménez-Serra , P. Caselli , C. G. Román-Zúñiga , J. Alves
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