9 Questions 11 Answers 0 Followers
Questions related from Luis Villamagua
Hello everyone! I would like to optimize some AGNRs structure in vaps. Can you provide me any link or paper that can be useful on that purpose? My idea is to start with a small AGNR, e.g., 5-AGNR...
01 January 2016 8,452 0 View
Hello guys, I need to calculate surface coverage (molecule/nm2) of the adsorption of a molecule in a surface? Is there any software to do this? Im doing a DFT work on VASP. Thanks in advance
01 January 2016 8,185 10 View
Hello guys! I am simulating some GNR with DFT as implemented in vasp. At certain stage of the simulation I get the following error message .. Operating system error: Cannot allocate memoryOut...
01 January 2016 6,008 0 View
Can anyone explain to me what a degenerate semiconductor is? How can I recognize when a semiconductor is a degenerate one? Can I find out this from the DOS pattern? Luis
12 December 2015 9,463 5 View
Hello everyone, I would like to know how to transform direct coordinates (from a POSCAR file) to cartesian. I have the following .... 9.4743808353343564 -0.0290157108064580 0.0008848096265305...
06 June 2015 649 3 View
Hey guys, Can you explain the meaning of "on-site energy" in the following context? The edge carbon atoms of our GNRs (armchair graphene nanoribbons) are passivated by hydrogen atoms so that the...
05 May 2015 7,657 8 View
A graphene nanoribon (GNR) usually is defined by N-GNR where N is the width and is measured in atomic rows. My question (which is a curiosity) is ... How many N should my GNR have to be considered...
02 February 2015 9,292 2 View
When I include an oxygen vacancy in SnO2 system a local state appears in the the middle of the forbidden gap. How can this affect the properties of my system? I am very new with the topic, I am...
01 January 2015 4,426 4 View
I have some graphene transistors available. I also have a prove station. I would like to know what measurements I can do to see the cones. Thanks, Luis
01 January 2015 7,399 3 View
