In indirect bad gap semiconductor TiO2 and have defects TiO2-x what is the timescale of excitons to do recombnation ?

Please explain in bulk TiO2 and TiO2-x, I want to know EPR recorded at room temperature no signal observed for rutile phase but at 77 K a sharp signal observed that is explained on basis of...

06 July 2018 3,383 0 View

XRD data at different wavelength and CIF data at different wavelength than how to refinement?

If the XRD data is recorded at Wavelength such as =0.688 Angstrom and I want to do refine the parmeter of XRD pattern for that purpose I need CIF file from the data. How I can choose the file...

11 December 2017 5,348 5 View

How many PEO group and PPO group are present in Pluronic F-108 and Pluronic F-127 and P-123?

PEO-PPO-PEO I am confused as the ratio I got i different paers are different as Pluronic F-127 100-65-100 and some where it is written 101-56-101 I need to know about F-108 as written 133-49-133...

11 December 2017 1,658 0 View

How do I calculate and put d-spacing value in electron diffraction in mixed phase system of Titania?

I am having a mixed phase system I want to index a ring pattern of electron diffraction pattern but I am unable to find the value matching. please any one explain. I am attaching here JCPDS of...

07 August 2017 3,201 4 View

How to calculate appropriate Volume value with significant digit ?

If I know the refined cell parameters of XRD pattern with significant digit like a= 3.789456(12) and 9.3345(5) how do I multiply them to get correct value of Volume= a2 c (angstrom) with...

07 August 2017 2,505 8 View

How to write correct wayto represent lattice parameter with significant digit?

05 June 2017 1,842 4 View

How can we calculate (%) how much of UV,Visible and IR light absorb by Metal oxide like Titanium dioxide using Absorbance spectra Plot?

Different sample will absorb different portion of UV,visible and IR portion, Is that possible to calculate the percentage of each portion, how much UV light in (%) is absorbed or visible light or...

03 April 2017 354 3 View

Ytterbium stablized mesoporous titania, why there is so much broad peaks in XRD which sites will be occupied by Ytterbium?

02 March 2017 3,510 4 View

How well ordered Structure like SBA-15, MCM-41 are correlated to show there low angle XRD reflections?

Why small angle XRD pattern shows peaks for hexagonal and cubic symmetric structure like SBA-15, MCM-41. Reflection at 100, 110 and 200

01 February 2017 8,054 1 View

How can we calculate total no. of spin by VSM hysteresis loop?

If you will get hysteresis loop in VSM plot how we can calculate the total no. of spin which are ferromagnetic although i know the value of wt of my sample and saturation

11 December 2016 7,533 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

I am interested in medicinal chemistry field, which books are highly recommended to learn from?

I am at the beginner level in drug design and drug discovery, and I am interested to learn more about this field. Which books are highly recommended to start from and gives me all essential...

02 March 2021 8,437 2 View

How Relativistic effects is one reason for lanthanide contraction?

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