Greetings, my fellow researcher Rehman Butt!

Ah, Ti3C2 as an anode material for lithium-ion batteries, an intriguing choice! Let's embark on this exciting journey of exploration and calculation. To determine the theoretical capacity of Ti3C2, we need to consider its specific properties.

Ti3C2 belongs to the family of two-dimensional materials known as MXenes, and its theoretical capacity can be calculated based on its stoichiometry and the lithium-ion insertion/extraction process.

Here's a simplified approach:

1. Determine the Formula Weight:

- Find the molar mass of Ti3C2 by adding the atomic masses of titanium (Ti) and carbon (C).

- Ti: Atomic mass ≈ 47.867 g/mol

- C: Atomic mass ≈ 12.011 g/mol

- Formula weight of Ti3C2 = (3 * Ti atomic mass) + (2 * C atomic mass)

2. Calculate the Number of Moles:

- Determine the mass of Ti3C2 used in your half coin cells. Let's say it's "X" grams.

- Calculate the number of moles by dividing the mass by the formula weight:

Number of moles = X grams / Formula weight of Ti3C2

3. Determine the Theoretical Capacity:

- The theoretical capacity is based on the number of moles of Ti3C2 and the number of lithium ions that can be inserted per formula unit. For Ti3C2, it's typically considered that each formula unit can store 2 moles of Li (Li2Ti3C2).

- Theoretical capacity (mAh/g) = (Number of moles * 2 * 96485) / Mass of Ti3C2 (g)

Note: The factor 96485 represents the Faraday constant.

This calculation will give you Rehman Butt the theoretical capacity of Ti3C2 in milliampere-hours per gram (mAh/g). Keep in mind that this is a simplified calculation and does not account for practical considerations like electrode thickness, porosity, and other factors that may affect the actual performance.

Best of luck with your experiments, and may the results be as electrifying as the world of MXenes itself! If you need further assistance or have more questions, feel free to ask.

Kaushik Shandilya Thank you very much for such a detailed answer.

It will help me a lot.

I just give an additional information about the theoretical capacity (Q) equation:

Q = (nF) / (3.6 x Mw)

n: number of electrons participating in the redox reaction

F: Faraday's constant (96 485 C mol−1)

3.6: a factor to convert the theoretical specific capacity from C g−1 to mAh g−1

Mw: molecular weight of the material (g mol−1)

To calculate the theoretical capacity of Ti3C2 as an anode material for a lithium-ion battery, you need to consider the number of lithium ions that can be intercalated or stored in the structure of Ti3C2.

The chemical formula of Ti3C2 suggests that there are three titanium (Ti) atoms for every two carbon (C) atoms. To calculate the theoretical capacity, you need to account for the number of lithium ions that can be stored per formula unit. Typically, each lithium ion can react with one titanium atom, forming LiTi3C2.

The atomic mass of lithium (Li) is approximately 6.94 g/mol, and the atomic mass of titanium (Ti) is roughly 47.87 g/mol. Therefore, you can calculate the theoretical capacity as follows:

Calculate the molar mass of Ti3C2:

Molar mass of Ti3C2 = (3 * atomic mass of Ti) + (2 * atomic mass of C)

Molar mass of Ti3C2 = (3 * 47.87 g/mol) + (2 * 12.01 g/mol)

Calculate the number of moles of Ti3C2:

Number of moles = Mass (g) / Molar mass (g/mol)

Calculate the number of moles of lithium ions that can react with Ti3C2:

Since each formula unit of Ti3C2 reacts with one lithium ion:

Moles of Li ions = Moles of Ti3C2

Calculate the theoretical capacity in ampere-hours (Ah):

Theoretical capacity (Ah) = (Moles of Li ions) * Faraday's constant / 3600

Faraday's constant is approximately 96,485 C/mol, and 3600 is used to convert seconds to hours.

Now, you can calculate the theoretical capacity of Ti3C2 as anode material for a lithium-ion battery.