Ionicity and hydrogen affinity of water layers on metals

Autor: Norman C Bartelt, Konrad Thürmer

Publikováno v: PNAS Nexus

The ability of metal surfaces to dissociate hydrogen molecules is key to many ways that metals react to their environment. Often, the barrier to dissociation is linked to the formation of surface hydrogen adatoms. Here, we show that hydrogen can be m

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea99a42c15f3caad2e23b5eb8501fbeb
https://doi.org/10.1093/pnasnexus/pgac238

Structure and energetics of the elbows in the Au(111) herringbone reconstruction

Autor: Norman C. Bartelt, Konrad Thürmer

Publikováno v: Physical Review B. 104

We study the structure of the threading edge dislocations, or ``elbows,'' which are an essential component of the well-known herringbone reconstruction of the (111) surface of Au. Previous work had shown that these dislocations can be stabilized by l

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f545a84d26a7642d36f918147e46815b
https://doi.org/10.1103/physrevb.104.165425

Three-Dimensional Maps of Helium Nanobubbles To Probe the Mechanisms of Bubble Nucleation and Growth

Autor: David B. Robinson, Joshua D. Sugar, Norman C. Bartelt, Noelle R. Catarineu, Suzy Vitale, Kirk L. Shanahan

Publikováno v: The Journal of Physical Chemistry C. 123:19142-19152

We present and analyze a three-dimensional (3D) volume of nanoscale helium bubbles in a tritium-exposed palladium alloy that we have reconstructed by transmission electron tomography. Helium nanobubbles commonly form within metals during exposure to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0477928a5f152abc478cb9413bd23f5c
https://doi.org/10.1021/acs.jpcc.9b00709

Enabling simulations of helium bubble nucleation and growth: A strategy for interatomic potentials

Autor: Norman C. Bartelt, Ryan B. Sills, Xiaowang Zhou

Publikováno v: Physical Review B. 103

Helium bubbles are a severe form of radiation damage that has been frequently observed. It would be possible to understand the complex processes that cause bubble formation if suitable interatomic potentials were available to enable molecular dynamic

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::213fe08adb1930c722aaa86f311e2bc7
https://doi.org/10.1103/physrevb.103.014108

Revealing the molecular structure of soot precursors

Autor: Norman C. Bartelt, Konrad Thürmer, Chen Wang, Regina Ragan

Publikováno v: Wang, CS; Bartelt, NC; Ragan, R; & Thurmer, K. (2018). Revealing the molecular structure of soot precursors. CARBON, 129, 537-542. doi: 10.1016/j.carbon.2017.12.005. UC Irvine: Retrieved from: http://www.escholarship.org/uc/item/6hn5b51x

The earliest stages of soot formation in flames are believed to involve the formation of small, nanoscale clusters of polycyclic aromatic hydrocarbon molecules. The structure of these clusters is still highly uncertain, however, impeding the construc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af47a16dcab155b8e4bb12eefe6bcd1b
https://doi.org/10.1016/j.carbon.2017.12.005