How to calculate the effect of salts in sea water electro-catalysis using density functional theory ?

06 July 2021 1 5K Report

Requirement of hydrogen as fuel directs us to utilise sea water but the computational techniques for such analysis are rare, how do we simulate the sea water catalysis using ab inito methods

Fatima Boukhlifi

This Question which interested me a lot, thank you very much

Badges
Science topic

More Brajesh Rajesh Bhagat's questions See All

What are the key challenges and solutions for implementing cross-border agreements on sustainable river resource extraction between Nepal and India?

What are the key challenges in implementing cross-border agreements for sustainable resource management between Nepal and India, specifically related to the extraction of river resources, and how...

25 June 2024 2,462 0 View

I anyone working on synperonic F108 non ionic surfactant?

I have having issue with my DLS results

25 June 2024 2,218 1 View

Delineation of Ground Water Potential?

In the context of increasing global water scarcity, why is the delineation of groundwater resources vital for a country's water security, economic stability, and ecological sustainability, and...

15 May 2024 3,868 0 View

What is natural intelligence? How is natural intelligence related with the memory of the organism?

The growing interest in artificial intelligence also motivates us to revisit natural intelligence for benchmarking. I like the definition of intelligence by Wechsler (1975): - "Intelligence is...

10 February 2024 9,528 4 View

How can I involved in ongoing research by Professor?

I am a civil engineer. I would to like involve in ongoing research related to "Delineation of ground potential". Is there any way to find professor, with whom I can share and contribute in their...

02 February 2024 6,394 8 View

Is anyone expertise in heteronuclear intermolecular 1D NOE for observing 1H by irradiating 13C?

mostly people observe 1D HOE for 1H-19F or 1H-31P. What about 1H-13C?

23 December 2023 7,691 0 View

How can I model a protein with 10 different chains?

I want to model a hetero 10-mer protein with 5 unique chains. can i do it with alphafold? or if there are other tools please let know how can i do it?

11 September 2023 3,042 2 View

How can I make a video using vmd from my protein ligand md simulation in gromacs, which files should I select for that?

I selected Md_0_10.gro file and then md_0_10.xtc file then I got something weird like this in the video in vmd, can someone pls suggest what's wrong in this step?

28 August 2023 3,370 4 View

How to download prospa software for NMR analysis at low field?

it is magretik company based software

09 August 2023 3,559 0 View

How can I know the OCV of the cell, If have voltage vs capacity graph of the given cell?

I have attached the graph below.

19 July 2023 5,533 0 View

Basis set and input instruction to calculate HOMO and LUMO using Orca for Imidazolium based organic salts?

Hey there, As a synthetic chemist delving into theoretical calculations for my imidazolium-based organic molecules, I would greatly appreciate any guidance on the appropriate input instructions...

09 August 2024 5,444 7 View

How can I improve the quality of lamb milk replacer for machine feeding?

Hello everyone, I am researching ways to enhance the quality of lamb milk replacer for machine feeding. I would appreciate any insights or recommendations on the following: Manual vs. Machine...

06 August 2024 6,227 2 View

How can i do multivariate Time Series forecast using MLP, ANFIS and LSTM?

I need the python code to forecast what crop production will be in the next decade considering climate and crop production variables as seen in the attached.csv file.

05 August 2024 2,977 3 View

Why results of ROS flurescence are negative as there was no bacteria within?

Hello. I am working on ROS production of two systems: system A is cerium oxide and hydrogen peroxide, system B is cerium oxide nanoparticle, hydrogen peroxide and potassium bromide. I did some...

04 August 2024 5,974 3 View

Is someone interested in testing some of our new Alluaudite compounds (Molybdate) in the fields of heterogeneous catalysis and photocatalysis?

We have an original Alluaudite-Molybdate we want to test for catalysis and photocatalysis applications.

04 August 2024 2,261 1 View

How to Transform my handy-wavy explanation of why group I/II metals oxides in aqueous solution are basic into a rigorous argument?

I heard an explanation about something being a better proton acceptor or lone pair donor but that doesn't make sense. I couldn't explain in in terms of acid-base theory. The hand-waving way I saw...

03 August 2024 9,918 0 View

What is the ionic radius of Hydrogen anion? And how to know the exact ionic radii of the elements?

I'm trying to calculate the tolerance factors of the hydride perovskite and the value calculated by me and the reported values are contradictory. Need more clarity in using the correct ionic radii...

01 August 2024 2,614 1 View

What's biological importance of bacteria &role of microbes improve crop productivity &soil health &role of bacteria as decomposers incycling nutrient?

What are the biological importance of bacteria and the role of microbes to improve crop productivity and soil health and role of bacteria as decomposers in cycling nutrients?

31 July 2024 3,479 5 View

What is the role of microorganisms in soil fertility and crop production cycles and role of microorganisms in mineral transformation?

31 July 2024 8,483 8 View

Is the mentioned CV graph a valid one as this graph have only one peak prominent (reduction)?

I have used Prussian blue nanoparticles as a redox couple. The PBNPs have been made using only one salt precursor. Also, during scan rate studies, a small oxidation peak can be consistently found...

31 July 2024 9,697 0 View