I want to compute LUMO and HOMO of TiO2 and Au, CdS, graphene nano particles. Is this feature in Comcast?
And what other software can I use to do this?
COMSOL can not help you to get HOMO, LUMO of any material. You need certain software which work using density functional theory. Here are the list of some software: SIESTA, VASP, Quantum expresso, CP2K....
in Experimental has synthesized TiO2 in the Anastas phase, CdS quantum dots (SILAR), Au nanoparticles(RF-sputtering), and DLC thin film (RF-PECVD) for simulation, I need the unit cell of this...
10 November 2019 7,264 3 View
I fabricated a variety of photoanodes for QDSSCs. all cells have the same Voc? that is possible? Have you had a similar experience? How can this be explained?
09 October 2019 9,443 3 View
Please introduce me a reference.
03 April 2019 5,833 4 View
Surlyn layer for solar cell
05 June 2018 1,124 0 View
In the Raman spectrum of TiO2 each peaks Eg, B1g, A1G related to what the interaction between photon and phonon? can introduce a book or paper to explain?
05 June 2018 2,891 7 View
GQDs were also found to have four quantum states at a given energy level, unlike semiconductor quantum dots, which have only two.These additional quantum states, according to researchers, could...
07 August 2017 3,237 1 View
Hi, im trying to make a projection in a 3d comsol model. I have a non uniforme chanel and my intention is to get the average tempreture in the y-z cross section and se the average tempreture...
02 March 2021 4,624 4 View
How to do Piezoelectric coupling in ANSYS-APDL or COMSOL between tapered substrate and rectangular piezoelectric patch? Piezoelectric coupling between the rectangular substrate and rectangular...
02 March 2021 9,833 3 View
I anwar by adsorption or reaction ..but it is either more method...
02 March 2021 4,811 2 View
I took measurements of different concentrations of 15 nm and 5 nm Au nano particle solutions. I'm trying to determine which concentration I measured gives the best reading overall. I also...
02 March 2021 7,626 1 View
I have been trying to simulate heat transfer problem in Comsol 5.5 for long time but it always throw an error stating: "Failed to find a solution. Maximum number of Newton iterations...
28 February 2021 8,626 3 View
Dear all, I am trying to perform a MD simulation about the interaction between CO2 and a polymer. I create my model, solvate it and perform the NVT and NPT equilibration. Now I am not able to...
26 February 2021 10,014 3 View
Good day to all, I have no experience with light emitting diodes. I am building a glass mini flume to demonstrate the photo degradation of Methylene Blue in water running over self cleaning...
26 February 2021 4,026 5 View
I want to measure change of capacitance due to relative displacement between two parallel plates in COMSOL. Distance between two plates changes with time. So I'm using a time dependent study but...
26 February 2021 8,567 3 View
In the formation of Zno nano particles process, after drying at 120 degree C, my zno nano particles are completely white but when i calcine it for 450 degree C it converts into grey colour. i...
26 February 2021 2,435 4 View
Has anyone ever tried to deliver CO2 with a CGA 300 regulator? I know that a CGA 320 regulator is standard for CO2. The issue is that I currently do not have any free CGA 320 regulators. I also...
25 February 2021 3,292 3 View