How is band gap estimated by UV-Vis spectroscopy?

Usually III-V semiconductors have direct band gap and can be calculated directly by some mathematical manipulation, however few inorganic materials usually don't exhibit a prominent absorption...

07 August 2015 7,536 3 View

How can I obtain JCPDS files for inorganic materials like metal sulfides, Nitrides, Oxides, Phosphides, and alloys?

Is there any software or list for comparison of XRD patterns. Actually i am trying to synthesizing the same materials by different source and different methods in this regard I have to study their...

03 April 2015 3,556 2 View

Which kind of information we can deduce from peak area of X-ray diffraction pattern?

11 December 2014 4,453 8 View

Does the Caping agent affect the geometry of nano-sized materials?

Which type of capping agent should we select for nano-sized semiconducting material synthesis?

10 November 2014 8,693 11 View

How to estimate the Band gap and nanoparticle size by UV-VIS Spectroscoy

Is their any mathematical tool for band gap and particle size estimation for this technique?

09 October 2014 9,813 2 View

How can we control the size or diameter of nanowires?

I synthesizing nano-sized semiconducting materials by electrospining method.

09 October 2014 5,216 4 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