I want to know the Wyckoff position of Ti and O atoms in TiO2 (Anatase). Is there any method to calculate these atomic coordinates? Kindly help me.
I think excluding some specific areas , mostly wastes of money. What you says..?
06 July 2018 9,272 15 View
Suggestion please
03 April 2018 8,239 0 View
I am getting the lowering nature both the strain and stress with increasing Mn-concentration in TiO2. Moreover crystallize size is also decreasing with Mn-doping. Need a suitable reason!!!?
10 November 2017 6,427 1 View
Please suggest me a more reliable software to fitting the UPS (Ultraviolet Photoelectron Spectroscopy) data
02 March 2017 3,094 2 View
I want to investigate the spectroscopic change in TiO2 loaded DNA. Can anyone suggest me the experimental method?
02 March 2017 2,034 2 View
In my case, i have doped iron into TiO2 (up to 5%)and found that there is a higher theta value shifting in XRD data. Is any case where it occurs? Please if possible suggest me any paper to which I...
01 February 2017 4,765 1 View
I want to calculate Ti-O and Fe-O bond length and hence bond strength for TiO2. Actually, I want to compare the bond energy when Fe is doped into TiO2. I also want to know that what is the...
01 February 2017 8,895 4 View
11 December 2016 9,277 8 View
10 November 2016 9,586 0 View
10 November 2016 2,140 0 View
Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...
03 March 2021 9,989 2 View
(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...
02 March 2021 3,309 2 View
The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...
01 March 2021 2,272 4 View
We have synthesized various metal complexes with different environment around the metals. Now to see the application of synthesized complexes we need this study also. we are also interested in...
01 March 2021 1,899 2 View
Dear Researchers I am trying to perform a PIL simulation using STM32F4 Discovery board and comunication serial USB TO TTL. During simulation I receive the following timeout error: An error...
01 March 2021 2,327 1 View
I am currently doing research on the adsorption of heavy metal using magnetic reduce graphene oxide. I use AAS to determine the concentration of the heavy metal. I prepare the Pb solution with...
26 February 2021 9,580 4 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
I am trying to find how to know the density needed for a pva electrospinning in a 0.6mm neddle, the electrospinning will be from top to bottom and the problem I really have is the solution because...
25 February 2021 2,615 3 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
I would like to make a correction in a co-author in your paper which is wrong. This name is also in other papers of Kenton Ko. Zey Ko is not a Co-author . The correct name is Zdenka...
24 February 2021 3,476 4 View