I employed opt+freq calculation for a molecule using B3LYP/6-31G set and found Ehomo=-0.20111 and Elumo=+0.00211. Is positive value of LUMO possible?

From HOMO-LUMO values, I found energy gap (Elumo - Ehomo) to be 0.20322, which seems to be fine and also homo is more stable than lumo. But I am confused if the value obtained for E(lumo) is...

01 February 2019 3,929 3 View

I am looking for the melting point and heat of fusion of graphene oxide. Could someone please help me in this regard?

Any reference in this regard would be very helpful.

11 December 2018 2,815 4 View

Do one knows the hydration energy of zirconium hydroxide and ionic radius of Zr4+ cation?

04 May 2017 5,728 5 View

In corrosion studies, why the value of capacitance double layer or constant phase element should be in the range of 1E-6 to 1E-4 Fcm-2?

In fitting EIS data (in corrosion of metal alloy studies) by means of electrical equivalent circuit (EEC), could the double layer capacitance (Cdl) value or constant phase element (Q) value...

02 March 2017 1,895 3 View

What is the correct procedure of performing cyclic voltammetry?

In case of corrosion study, is the procedure correct if one sweeps the potential initially from say "x V" towards negative going potential and then reverse back through positive going potential to...

31 December 2016 8,972 1 View

How to calculate charge transfer resistance from EIS curve?

Charge transfer resistance is the resistance against the process of electron transfer from one phase (e.g. electrode) to another (e.g. liquid). Suppose I have an EIS curve with two time constants....

10 November 2016 2,922 11 View

Does the pressure(-600 mmHg) affects pH?

When I conducted the degassing experiment using decompression under anaerobic condition(and I used ferrous based chelating agent), the oxidized ferric were observerd. So, could you tell me the...

03 March 2021 4,892 5 View

What are the new 2D nanomaterials were used for Silver nanoparticles stabilization?

In the stabilization of AgNPs are vital in current research interest. However, some of the 2D nano-materials like graphene oxide, MoS2, etc... previously used to stabilize it. But still they shown...

01 March 2021 2,207 3 View

Which database would give me this list of chemical components?

Dear colleagues: I would like to know if anyone knows of a database that gives me the parameters pH, K, K, Mg, P, C, N, Zn, Cu, Ni and Cd of common foods. I find a lot of information of proteins,...

26 February 2021 5,525 3 View

How does charge on working electrode changes with rising potential?

During performing CV of a GCE or modified GCE, we rise the potential in the first half of the cycle and reduce it in reverse half. During the first half, what is the nature of charge on GCE or...

25 February 2021 7,994 3 View

How to delaminate copper in water-based anodes?

Hello everyone, I'm looking for a way to delaminate copper current collector of water-based anodes in Li-ion batteries without damaging the graphite film. I tried different materials such as HNO3...

24 February 2021 3,785 3 View

Why is NH4OH added in heavy metals limit test?

The limit test I'm referring to is USP method II. In this procedure you need to dropwise add 6N of NH4OH to the sample until it the pH is alkali. After that you need to dilute and add HOAc until...

23 February 2021 2,049 3 View

Thermal reduction of graphene oxide.?

I am trying to reduce graphene oxide by thermally but I have no proper information regarding this. Can any one help me regarding the details about temperature and time for the reduction of...

23 February 2021 4,155 4 View

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23 February 2021 4,014 3 View

What kind of steel moulds are used for hot pressing metal powders?

My main concern is that the metal powders should not weld to the mold surface and I should easily be able to eject out the pressed samples. I am looking for alternative for graphite moulds. The...

22 February 2021 2,965 4 View

Is there an ideal incubation time of RGO-modified SPCE before subsequent use, i.e., electrochemical characterization or further modification?

I notice that upon washing and air-drying of my RGO/SPCE surface and characterizing again via DPV, the current response towards ferricyanide probe significantly decreases. My worry is that the...

22 February 2021 5,324 3 View