scholarly journals Peeling graphite layer by layer reveals the charge exchange dynamics of ions inside a solid

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Anna Niggas ◽  
Sascha Creutzburg ◽  
Janine Schwestka ◽  
Benjamin Wöckinger ◽  
Tushar Gupta ◽  
...  

AbstractOver seventy years ago, Niels Bohr described how the charge state of an atomic ion moving through a solid changes dynamically as a result of electron capture and loss processes, eventually resulting in an equilibrium charge state. Although obvious, this process has so far eluded direct experimental observation. By peeling a solid, such as graphite, layer by layer, and studying the transmission of highly charged ions through single-, bi- and trilayer graphene, we can now observe dynamical changes in ion charge states with monolayer precision. In addition we present a first-principles approach based on the virtual photon model for interparticle energy transfer to corroborate our findings. Our model that uses a Gaussian shaped dynamic polarisability rather than a spatial delta function is a major step in providing a self-consistent description for interparticle de-excitation processes at the limit of small separations.

1984 ◽  
Vol 140 (1) ◽  
pp. L253-L258
Author(s):  
Kenji Murakami ◽  
Toshiyuki Adachi ◽  
Tsukasa Kuroda ◽  
Shogo Nakamura

2021 ◽  
Vol 9 ◽  
Author(s):  
Sander Vandenhaute ◽  
Sven M. J. Rogge ◽  
Veronique Van Speybroeck

Soft porous crystals have the ability to undergo large structural transformations upon exposure to external stimuli while maintaining their long-range structural order, and the size of the crystal plays an important role in this flexible behavior. Computational modeling has the potential to unravel mechanistic details of these phase transitions, provided that the models are representative for experimental crystal sizes and allow for spatially disordered phenomena to occur. Here, we take a major step forward and enable simulations of metal-organic frameworks containing more than a million atoms. This is achieved by exploiting the massive parallelism of state-of-the-art GPUs using the OpenMM software package, for which we developed a new pressure control algorithm that allows for fully anisotropic unit cell fluctuations. As a proof of concept, we study the transition mechanism in MIL-53(Al) under various external pressures. In the lower pressure regime, a layer-by-layer mechanism is observed, while at higher pressures, the transition is initiated at discrete nucleation points and temporarily induces various domains in both the open and closed pore phases. The presented workflow opens the possibility to deduce transition mechanism diagrams for soft porous crystals in terms of the crystal size and the strength of the external stimulus.


1975 ◽  
Vol 124 (2) ◽  
pp. 317-319 ◽  
Author(s):  
David J. Weber ◽  
Norton M. Hintz ◽  
D. Dehnhard

2014 ◽  
Vol 488 (13) ◽  
pp. 132034
Author(s):  
Cexiang Mei ◽  
Xiaoan Zhang ◽  
Yongtao Zhao ◽  
Jieru Ren ◽  
Xianming Zhou ◽  
...  

1985 ◽  
pp. 55-77 ◽  
Author(s):  
Ratko K. Janev ◽  
Leonid P. Presnyakov ◽  
Vjatcheslav P. Shevelko

Materials ◽  
2020 ◽  
Vol 13 (3) ◽  
pp. 595 ◽  
Author(s):  
Emil Korczeniewski ◽  
Monika Zięba ◽  
Wojciech Zięba ◽  
Anna Kolanowska ◽  
Paulina Bolibok ◽  
...  

It is well known that carbon nanotube (CNT) oxidation (usually with concentrated HNO3) is a major step before the electrophoretic deposition (EPD). However, the recent discovery of the “onion effect” proves that multiwalled carbon nanotubes are not only oxidized, but a simultaneous unsheathing process occurs. We present the first report concerning the influence of unsheathing on the properties of the thus-formed CNT surface layer. In our study we examine how the process of gradual oxidation/unsheathing of a series of multiwalled carbon nanotubes (MWCNTs) influences the morphology of the surface formed via EPD. Taking a series of well-characterized and gradually oxidized/unsheathing Nanocyl™ MWCNTs and performing EPD on a carbon fiber surface, we analyzed the morphology and wettability of the CNT surfaces. Our results show that the water contact angle could be gradually changed in a wide range (125–163°) and the major property determining its value was the diameter of aggregates formed before the deposition process in the solvent. Based on the obtained results we determined the parameters having a crucial influence on the morphology of created layers. Our results shed new light on the deposition mechanism and enable the preparation of surfaces with steerable roughness and wettability.


1984 ◽  
Vol 140 (1) ◽  
pp. L253-L258 ◽  
Author(s):  
Kenji Murakami ◽  
Toshiyuki Adachi ◽  
Tsukasa Kuroda ◽  
Shogo Nakamura

1984 ◽  
Vol 2 (4) ◽  
pp. 477-483
Author(s):  
S. Karashima ◽  
T. Watanabe

The charge distribution of an incident ion as a function of projectile velocity, its range and its average equilibrium charge are studied theoretically. The calculations are made only for an atomic hydrogen gas target. The charge of the ion is determined by the equilibrium between electron loss from the ion and electron capature from a hydrogen atom to the ion. The charge states of the ions are calculated in two cases; to assume a local balance condition for electron loss and capture and to solve a rate equation for the charge state fraction function under non-local balance conditions, both only taking into account single electron loss and capture processes. In the calculations we use empirical formulae for electron loss and capture cross section by making some simplifications. Calculations for the charge state fraction as functions of ion ranges under non-equilibrium conditions have been carried out in the cases of Ne, Ar, and Xe ions. Calculations for the charge state under local balance conditions have been made in the cases of C, Ne, Ar, Kr, I, and U ions.


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