How we can compare between theoretical and experiment result to study nanopartical? can we compare between them exactly because Nanoparticles not only depended on size but Nanopartical structures depend on their size, chemical composition, ordering, as well as external conditions e.g. synthesis method, pressure, temperature ... also the substrate because the substrate its important factor affect on lattice constant and energy gap of nanopartical .I read alot of papers some paper said that the lattice constant increased another said decreased after compaed with experimental !!! I dont know lattice constant decrease or increase how we can compared between latice constant theoretical and experimental because we have alot of factor affect on nanopartical ? also another important factor
the nanopartical has very reactive surface how we can compare between them ?.
Mrs Shaida Kakil , our group works on Modified Callaway Model to calculate thermal conductivity of nano-wires and thin layer, as a function of temperature. The model depends on lots of size-dependent parameters, including lattice constant, melting point, Debye temperature and so on. Really, the model works well, because it can fit experimental data! Meanwhile, lattice parameter increased by reducing the size in nano material.
It is difficult to compare. However, crystal parameters (e.g., crystal structure, space groups etc.) can be matched with theoretical one.
It is hardly to compare because of the hardly controllable aggregations resulted in or from the lattice or surfacial activity.
Nano is a very complicated world. All properties are different from their bulk.I think we can not speak generally for all type of materials because every substance has special case. Also there is many conditions have huge influence on our experimental data such as type of substrate , method of preparation , temperature, pressure and so on which is control these conditions in theoretical way is difficult.
thanks alot Alan F Rawle ,Md. Aminul Islam Mraci and Chengcheng Zhao for information
Mrs Shaida Kakil , our group works on Modified Callaway Model to calculate thermal conductivity of nano-wires and thin layer, as a function of temperature. The model depends on lots of size-dependent parameters, including lattice constant, melting point, Debye temperature and so on. Really, the model works well, because it can fit experimental data! Meanwhile, lattice parameter increased by reducing the size in nano material.
Ok Good news Dear Ibrahim I hope you will be successful but you say that lattice parameter increased by reducing the size in nano material. this is true for all structure ?? My question not only about this part (latice parameter) but its good i want to know when we talk about nanomaterial we have nano wire, nanorod, nanopartical nanocrysta also nanocluster , you must select on of them because nanomaterial have general term and which structure you work on it ? did you work on which element and which structure? can you sent to me the paper if you have published . you have semiconductor or you have metal also you start from bottom_up or top_dwon also when you compared with experimental part you have nanopartical or nanocrystal which surface you have both of them the same surface i dont know you are work on which type ? did you have XPS,TEM,SEM and so one its good i think its so difficult becuase we have a lot of parameter affect on it
if you see this paper its different
also this paper
Article Size and shape dependent lattice parameters of metallic nanoparticles
also this book talk about this
https://books.google.it/books?id=yKOtuRjNRoYC&pg=PA5&lpg=PA5&dq=lattice+parameter+in+nanomaterial&source=bl&ots=6FKITVViay&sig=54zrNEzZ1bji3G_xeJk0sQSLzX4&hl=en&sa=X&ved=2ahUKEwiztLuYvNLfAhUSsqQKHXRpBGgQ6AEwDXoECAoQAQ#v=onepage&q=lattice%20parameter%20in%20nanomaterial&f=false
and please see this attachment i take it from above book
best regards
You may find XRD pattern to obtain lattice parameter for nano-engineered material, and then you can compare the experimental results and the theoretical models.
Note: The XRD data can be extract by some programs like "get data digitizer" and by a sufficient XRD analyzer, such as "X'pert High Score Plus", you can find lattice parameters. In both cases I can help you to run and use the programs.
Good but most researcher say that we can not take xrd of nanomaterial how we can find
Theory gives an hypothetical idea for augments but practical gives actual results where underlying parameters like surface nature of particle, pH, concentration, ionization and conductivity e.t.c. are considered in nanoscience which change an hypothetical view.
thanks Dear Chengcheng Zhao Iam agree with you It is so hardly to compare between them
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