Questions tagged [experimental]

Questions about experimental science related in any way to matter and of interest to some matter modelers.

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5
votes
1answer
46 views

Order of diffraction pattern confusion in XRD experiment

Somewhere I came across this phrase: "expected diffraction angle for first order reflection." With respect to XRD do I take this as a rule of thumb that the diffraction will always be a ...
9
votes
1answer
102 views

What phosphorescence material emits light for a 1 hour period?

I am looking for a phosphorescence material that emits light (400nm - 600nm). The trick is I need the material not to heat up when absorbing or discharging the light, so basically, I hope it maintains ...
17
votes
1answer
394 views

Theoretical paper was rejected by the editor due to no experimental data: Is this common?

This may be a sensitive question that may cause theoretical scientists to feel injured. Today my paper was rejected after assigning it to the editor. Here is what the editor said about the reason: &...
10
votes
1answer
50 views

Absolute Valence and Conductance Band Position

Experimentally, determining the absolute valence and conductance band positions can be difficult. While DFT often underestimates band gaps, experimentally the band gap is a far more accessible ...
13
votes
2answers
184 views

Has materials modeling made any specific contribution to the success of perovskite solar cells, or has it only been experimental?

I was wondering if all the recent success of perovskite solar cells was accomplished purely experimentally or if there was some materials modeling aspect in it.
51
votes
7answers
646 views

Is there a database where we can find previously determined geometries of materials?

For small molecules, NIST has a database of experimentally determined geometries here, and ab initio geometries here. I wonder if there is something similar for materials?