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Neil W. Ashcroft, Cornell University

Tungsten hydride under pressure

Tungsten gaskets surrounding hydrogen in diamond anvil cells were observed to react with hydrogen under pressure to form WHn compounds. Cornell and Geophysical Laboratory scientists employed density functional theory (DFT) to map out possible stable structures with different n-values (n=1-6 and 8) followed by additional experiments to validate results of the calculations. No hydride is stable at ambient pressure.

(Barely) solid Li(NH3)4: The electronics of an expanded metal

This project, work done mainly by Eva Zurek, now at U. of Buffalo, together with Peter Edwards, Neil Ashcroft and Roald Hoffmann,  is not supported by E-Free, but is relevant to E-Free interests.

 

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Cycloaddition reaction of carbon nanotubes and benzene under high pressure

C60 has been polymerized under high pressure [4]. However, due to a lack of a method for structural analysis of carbon nanotubes, no real information on the structure of the materials is available. It is natural to ask whether under high pressure, a cycloaddition reaction can also happen between carbon nanotubes. Theoretically, pressure-induced interlinking of carbon nanotubes was reported [5]. Interestingly, (7, 0) nanotubes appear to form a (4+4) juncture, as shown in Figure 7 (c).

 

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