I Have a Research Support System

Early on Saturday morning, Xu Qiu entered the simulation laboratory full of expectations, and soon got the results of a new wave of exploration.

The highest efficiency of his third-generation 8 series 3D-PDI molecule has been optimized to 8.43%. The donor material used is P3TEA, and the processing solvent of the device is a mixed solvent of chloroform/dichlorobenzene, in which the amount of dichlorobenzene added is 4.5%.

8.43%!

This is considered to have completely broken the original world record of 7.92%, and it has also taken a small step forward.

On the other hand, Han Jiaying’s second-generation B4T system has a maximum efficiency of 7.33%, and the donor material used is PCE10. The mixed solvent of chloroform/dichlorobenzene is also used as the processing solvent, and the amount of dichlorobenzene added is 8%.

The improvement of the efficiency of the school girl system is relatively small, and at this point, there is not much room for further optimization, and there is a high probability that it will not be able to break through 8%.

However, her system is only the second generation at present. If selenium atoms are introduced from the initial PDI molecule to synthesize a third-generation product similar to Xu Qiu's, the efficiency will break through 8%, or even higher, there is still a lot of possibility of.

Thinking of this, Xu Qiu couldn't help muttering to himself, he couldn't have been blown away by his school girl just a few days after breaking the record, after all, the efficiency of his second-generation 8 series is only about 6%, school girl This is 7.3%, and iterating again, wouldn't it be heaven.

After thinking about it, if she is really blown up, then she will be blown up again, and she will be blown up again.

After summarizing the experimental results of him and his junior, Xu Qiu looked at the senior's system.

Her two CH1 and CH2 acceptor materials have gone through more than a dozen commonly used donor materials in the simulation laboratory.

Although the senior sister named them CH1 and CH2, Xu Qiu still gave them a more general name based on their molecular structure. He felt that sometimes it would be more intuitive to name them this way.

Among them, CH1 has F8 as the D unit in the center, and two 1,3-indanedione (IN) as the A unit next to it, so it is named F8-IN;

Similarly, CH2 is named IDT-IN.

The first is the system based on F8-IN, Xu Qiu glanced at the efficiency.

Hundreds of devices, hundreds of conditions, all of which start with zero eggs at a glance.

Up to 0.3%...

What a terrible capitalized word.

In fact, when Xu Qiu saw the F8 unit, he was not surprised that the highest efficiency of the F8-IN system was only 0.3%.

The F8 unit is a very old structural unit, which can be traced back more than ten years, maybe even longer.

Among them, "F" represents the fluorene unit. The alias of fluorene is dibenzopentacyclic ring. As the name suggests, it is a five-membered ring sandwiched between two benzene rings. There is a sp3 hybridized carbon atom in the middle of the five-membered ring. "8" represents this Two straight-chain alkyl groups of 8 carbon atoms are attached to the side chain of the sp3 hybridized carbon atom.

Fluorene is one of the separation products of coal tar. It is a petrochemical raw material and is sold by the ton, so it is very cheap.

And when a field develops in the early stage, it is natural to try something that is cheap or ready-made. Moreover, fluorene-based materials have made great achievements in the field of photoluminescence.

As far as Xu Qiu knows, Mr. Wei has studied F8-based polymer donor materials, such as PF8BT, PF8T2, and PF8DTBT, when he was in Pretty Country.

However, very little of this material has survived to the present.

Without him, the efficiency of the devices is too low, and they all go to the street.

The Internet has memory, and the scientific research circle also has memory.

In the past ten years, a failed system will basically not be found unless you deliberately read the relevant early literature.

As for why Chen Wanqing re-selected the F8 system and used it in organic photovoltaic materials, it may be influenced by Mr. Wei. After all, part of his scientific research experience before returning to China must be passed down, and he wants his students to continue to complete it. For example, the PDI series that Xu Qiu and Han Jiaying are currently in charge of.

Or maybe the senior just showed off...her traditional performing arts again.

After many years, the F8 system reappeared, but once again hit the street.

History is always surprisingly similar.

Xu Qiu was a little surprised by the efficiency of the sister's other CH2 system.

The highest efficiency is 2.87%!

It was actually close to 3% in the first test. You must know that the current highest efficiency of the A-D-A system is only 6%.

If this is further optimized to achieve an efficiency of more than 3%, and the A unit is a newly developed structure, it is not bad for innovation.

Taken together, it is enough to publish an article similar to CM at the junction of the first and second districts, and even work hard to impact AFM and AEM;

If the efficiency can be made higher, 4% or 5%, both AM and JACS have a chance. The first article on the 3D-PDI system reviewed by Xu Qiu some time ago had an efficiency of 4%, so it was published. JACS.

"Senior has finally come out of the 1% quagmire. This is about to work hard. There is a high probability that her dream of writing articles in the first district will come true."

"Could it be that the previous failures allowed her to accumulate a lot of character, and this time she suddenly exploded?"

"The design of this molecular structure seems to have a part of my influence."

"Anyway, it's always a good thing."

Xu Qiu pondered secretly for a while, and began to study the data of CH2 carefully.

In the IDT-IN system, the D unit used is the IDT structure. IDT is a structure recently emerging in the field of organic photovoltaics. The molecular structure is relatively complicated. It is connected by four thiophene rings and one benzene ring in a linear fused ring. There are four The side chain site, the Chinese-English translation name is Yinda province and dithiophene.

Interestingly, in the system with the highest efficiency, the donor material used is not a common narrow bandgap material, such as PCE10, P3TEA, etc., but a rare wide bandgap polymer donor FTAZ.

After thinking for a while, Xu Qiu roughly understood the reason, which should involve the issue of complementary light absorption.

For traditional fullerene derivatives and non-fullerene PDI acceptors, the light absorption range is usually 300-600 nm, which belongs to wide bandgap materials, so the matching donor material should be selected with light absorption range Narrow bandgap materials around 500-800 nm.

However, the A-D-A molecules synthesized by the senior sister are different, and the light absorption range can be controlled by adjusting the structure of the D and A units.

For example, the color of CH2 is blue-black, and it is a material with a narrow band gap. Therefore, it is better to match it with a donor material with a wide band gap, so as to ensure complementary light absorption.

It is worth noting that although PCE10 and CH2 are both narrow bandgap materials, their light absorption ranges overlap greatly, but the system based on PCE10:CH2 can achieve the highest efficiency of 2.46%.

From this point of view, PCE10 can become a standard donor material in the field of organic photovoltaics in recent years. There are indeed two brushes——

The universality of this material is indeed good enough, and it can be adapted to most newly developed acceptor materials, even if the light absorption is not complementary.

After all, unlike Xu Qiu, other people can try different conditions in large quantities through the simulation experiment system.

For Xu Qiu, as long as he has a good grasp of the general direction, spending one day in the simulation laboratory II can complete the workload of others for a month.

It has to be said that the system is still very powerful in this respect.

For most researchers, the general approach is to choose a system with a not too bad foundation, and then go all the way to the dark, and keep trying and erroring.

They are also very helpless. They can’t work on one system for half a month or a month, and then suddenly switch to a new system. The sunk cost is too high.

Therefore, a universal material like PCE10 is naturally a favorite, even if it cannot get the highest value, it is not bad to get a higher value.

Of course, in the long run, if various narrow-bandgap A-D-A acceptors are widely studied in the future, it is necessary to synthesize corresponding wide-bandgap donor materials, and materials like FTAZ can match them.

...

On Sunday, Material 1 216, the research team should have 7 people, but actually got 6 people.

With Han Jiaying's help, Xu Qiu doesn't have to make the device himself.

Although the result of 8.4% has been obtained in the simulation laboratory, considering the abrupt replacement of the solvent, the change of the thickness of molybdenum trioxide, and the abrupt conditions for the preparation of the zinc oxide transport layer, Xu Qiu did not adopt the new conditions for the time being, but let the schoolgirls in The previous experimental conditions were slightly modified and played freely.

He intends to save the system between him and his schoolgirl next week when he conducts the experiment himself.

Today's main task is to make the senior sister's CH2 system stand out.

Xu Qiu suggested that she use the PCE10:CH2 system. Although she knew that FTAZ had a better match, it was impossible to use FTAZ directly in the exploratory experiment.

After arranging the work of the school girl, Xu Qiu began to write articles.

Although it is a big article like NC, the pressure is not great.

On the one hand, it is much easier to write articles like his that highlight "breakthrough records" than articles that highlight "new structure" and "new perspectives".

It's very simple. For "record breaking" articles, you put the efficiency data on the title. After seeing the data, colleagues will know you are NB at a glance. You don't need to brag about it in the text, as long as you tell the story normally. That's fine, others will naturally make brain supplements based on your molecular structure and synthetic route.

However, if a "new structure" or "new point of view" is proposed, a large amount of words must be used to express it, such as: what is new about this "new" and where is its strength; why is this "new structure" and "new point of view" proposed? etc.

On the other hand, Xu Qiu is no longer the rookie in scientific research. He still remembers that when he wrote the article for the first time, he wrote it for more than a month, and finally revised it many times.

Up to now, Xu Qiu has accumulated a lot of various routines and speech skills in the field of organic photovoltaics. He feels that as long as the various characterization data are complete and the context of the article is clear, it seems that it is not difficult to give him a week to complete an article.

After all, the main text is only three to five thousand words. As long as the thinking is coherent, it is no problem to write 10 words a minute, and 600 words in an hour. Even if it is slower, writing 5 words a minute, there are 300 words in an hour.

In terms of time allocation, two days for the main text, two days for processing data, drawing, and references, one day for intensive proofreading, and two days for revision, which is about the same.

In the afternoon, Xu Qiu spent most of his time sitting at his desk and typing, constantly filling content into NC's article template.

As for the others in the laboratory, Chen Wanqing adopted Xu Qiu's suggestion, first prepared a PCE10:CH2 solution, and then stayed in the laboratory, put the mobile phone in a disposable PE glove, and placed it on the platform next to the glove box , moved a round stool and sat next to the glove box, while watching the drama, while supervising Han Jiaying's experiments.

Seeing the posture of Chen Wanqing and Han Jiaying, Sun Wo resolutely gave up the idea of ​​making devices today, and stayed in the office to sort out the documents.

Duan Yun was doing thermoelectric experiments while browsing the webpage. Each of his tests lasted a relatively long time and occupied two KEITHLEY source meters at the same time, but most of the time he did not need to be present to watch.

Wu Feifei wore headphones and concentrated on writing the review. Her work was the most special in the audience. Teacher Wei came back and looked at the progress of her article to know whether she had paddled. Quantifiable work is difficult to fish for.

Tian Qing didn't know where she went, so she just didn't show up. Everyone was not surprised by this. She would occasionally be late for an hour when Teacher Wei was around on weekdays.