I Have a Research Support System

Xu Qiu mainly limited the independent research direction in Simulation Lab III to the effective layer structure of polymer donor/small molecule acceptor, and generally there are three optimization directions.

The first is the donor material. On the one hand, based on the existing H43, J2 and other molecules, further optimization can be carried out. In this regard, the former school girl has done very well. Although there is not much room for optimization, there is still room for squeeze. , For example, side chain length or type optimization, introduction of other heteroatoms, replacement of thiophene side chain structure, etc.

On the other hand, other structures can also be used. This structure does not necessarily have to be a brand new structure. It is entirely possible to find a unit from classic donor material molecules such as PCE10, PCE11 or even P3HT, and perform improved splicing to make the donor material The bandgap width is about 1.7-2.0, and a medium or wide bandgap material can be obtained to match the narrow bandgap non-fullerene acceptors such as ITIC.

For specific operations, a benzene ring can be introduced into the main chain of PCE11 to form the structure of PBT4T-B. The introduction of the benzene ring destroys the overall regularity of the molecule, reduces the crystallinity of the molecule, and at the same time increases the band gap of the molecule. improve.

Or modify based on P3HT to design a polythiophene structure with a relatively low cost and a relatively simple molecular structure. This is also a feasible idea. It may be possible to reduce the cost of the device in this way. However, P3HT itself does not fit ITIC. , Xu Qiu tried it a long time ago, and the efficiency is only less than 2%, which is a system that hits the street.

The second is receptor materials, where there are more articles that can be done.

First, focus on unit A, which is to modify based on the current ICIN unit.

It can be slightly modified, that is, some other groups are introduced on the terminal benzene ring.

In this regard, Xu Qiu and the others have done a lot of research before, introducing chlorine, fluorine, methyl, etc., and the postdoctoral sister also published a work on six in one, which is specifically for this.

Of course, there is still room for research, such as taking out the synthesis idea based on the ITIC polymer acceptor material that was temporarily put down before, that is, introducing a bromine group on ICIN, synthesizing ITIC-Br, and making it react with bistrimethyltin The substituted thiophene unit undergoes Stille coupling reaction to obtain the polymer acceptor material of P-ITIC-T.

It can also be greatly modified. ICIN is an indenedione structure formed by connecting a five-membered ring and a six-membered benzene ring with fused rings. This five-membered and six-membered fused ring structure can be modified.

For example, changing the six-membered benzene ring to a five-membered thiophene ring, that is, making a condensed ring structure of two thiophene rings, can also have two different connection methods according to the orientation of the thiophene rings.

For another example, change the benzene ring or change it to a naphthalene ring, that is, two parallel benzene rings, to increase the conjugation length of the ICIN unit.

Second, focus on the central D unit, and there will be more room for improvement.

The length of lateral conjugation can be modified, different main chain structures can be designed, side chain positions can be modified, and heteroatoms can be introduced.

If you open your mind, you can design various molecular structures, such as L-type, X-type, M-type, Y-type...

Even the conjugated structure can be deliberately destroyed.

Conjugated structures in organic photovoltaic materials are a double-edged sword.

On the one hand, it is relatively easy to realize the ππ stacking between molecules, which is conducive to the transport of excitons and obtains high photoelectric conversion efficiency;

On the other hand, there are double bonds in the conjugated structure, which is unstable under light, especially ultraviolet light, and it is easy to open the double bond, destroying the conjugated structure itself, resulting in poor stability of the material.

If a non-conjugated acceptor material can be developed, then its device stability is definitely very strong.

Third, you can also change the connection structure of the unit. ITIC is an ADA structure, and the IEICO of the senior sister and the IDTBR of Xu Zhenghong are the structure of AπDπA.

Originally, both ADA and AπDπA are symmetrical structures, and a series of variant structures can be designed, such as ADDA, ADDDA, ADADA, and even more complex ADADADA structures...

If you want, you can design asymmetric structures such as DAA and DDA, but the synthesis difficulty will be relatively high, and no one may be willing to do it.

Finally, if you focus on the device, it is a series of methods such as translucency, large size, flexibility, scrape coating, lamination, non-halogen solvent...

If you count it down, there are still quite a few articles that can be published. There are at least twenty or thirty articles, large and small. If there are more, it is not a problem to publish a hundred articles.

Of course, with so much work, Xu Qiu and his small team of five and a half people definitely couldn't handle all of it. Even if Xu Qiu got all the experimental results, it would take a lot of time to repeat and write articles in reality.

We can only focus on the big and let go of the small, and it will depend on how many articles the other research groups can steal from Xu Qiu.

On the morning of October 2nd, Xu Qiu and Han Jiaying showed up at Modu Airport, ready to go to Yucheng. They had already booked hotels and air tickets in advance.

The two planned a five-day tour of Yucheng during the National Day.

On the one hand, it is a combination of work and rest. The work intensity exceeds 996 for a long time, and it is necessary to relax appropriately.

On the other hand, the sum of the bonuses the two received for posting articles was already tens of thousands, which was considered a huge sum of money for students, and the money they earned had to be spent.

Moreover, aren't we all talking about the internal economic cycle now? This can be regarded as stimulating domestic demand and making a real contribution to the country.

In five days, the two of them ate all the delicacies in Yucheng, such as hanging pot pork fish, Yucheng old hot pot, Yang Jilong Mansion's special Yucheng dishes, fat sausage chicken, Yucheng small noodles...

The taste of most of the dishes is not bad, the characteristic is that it is oily and spicy, and the price is much cheaper than Shanghai and Sioux City.

The only problem is that after eating for five days in a row, both of them felt a little uncomfortable in their stomachs, and the chrysanthemum was also a little hot.

During the holiday, Xu Qiu also brought a computer to prevent any accidents, but it was useless, and he did not receive any harassment from Wei Xingsi's phone calls.

The happy time is always very short, and in a blink of an eye, the five-day holiday has passed.

On October 7th, Thursday afternoon, everyone gathered at Caiyi 216 again.

Xu Qiu and Han Jiaying brought back some Dengying beef for the other friends, which is a specialty of Yucheng.

There are not many specialties in Yucheng that can be given away. Specialties such as Jiangjin rice cake candy and Ciqikou Chen Mahua may be good for people of the previous generation to give away, but young people seldom eat them now.

In the end, the two chose between Dengying Beef and the hot pot base, and chose the former. They can't give the hot pot base.

Others also shared their holiday insights.

Tian Qing ran out again, this time she went to Mongolia Province, brought some cheese and beef jerky for everyone, and said happily: Riding a horse, Barabara...the yurt ate a whole sheep feast, Barabara... after watching the big Balabala in the grassland... I didn't meet the wolf Balabala... It turns out that the tap water in the grassland is also tap water. I always thought it was milk...

After chatting for a while, Wei Xingsi appeared at the door of 216 and waved to Xu Qiu: Xu Qiu, come to my office.

The two entered 218. Wei Xingsi poured the farmer's three punches into the water dispenser and started to boil the water, while asking casually, Did you go out to play during the holidays?

Yes, I went to Yucheng with Han Jiaying. By the way, I also brought some Dengying Beef. I'll bring you a pack later. Xu Qiu responded.

No need, keep it for yourself. Wei Xingsi waved his hand, returned to his desk, and said with a happy face: I asked you to come here, there are a few things, first of all, we received the journal Joule Please invite us to write a review on ITIC non-fullerene acceptor materials.

After a pause, Wei Xingsi said: Originally, I planned to try to submit to Nat. Rev. Mater., a major sub-journal of Nature that specializes in collecting review articles, now that Joule has issued an invitation for a manuscript, then Submit to Joule, the articles that are invited to be drafted are basically stable, this article does not need to bring too many people, just the two of us are fine, you will be the main writer, how about it?

No problem. Xu Qiu nodded in agreement. This is a summary of the recent work of the group and other followers. It is still very beneficial. It can clearly grasp the future research direction, and it is equivalent to picking up for nothing. An article at the level of a major sub-journal of Nature, naturally there is no reason to reject it.

Wei Xingsi gave a hmm and continued: In addition, search for your AM article on ITIC work on the wos website, it should be updated now, and see if there are signs of highly cited and hot articles, I guess At least one highly cited one, and remember to take a screenshot if you have one.

Then, Wei Xingsi brought a thick stack of documents from the desk next to him, and handed them to Xu Qiu: There are also some recent documents, I have roughly browsed through them, and other research groups have also started further research based on ITIC, and some of them It is very similar to our work, you should pay attention not to collide with other people.

Okay. Xu Qiu picked up the document and was about to leave, Wei Xingsi said again: Finally, inform them that the group meeting will not be held today, and will be held next Monday.

When Xu Qiu returned to 216, Han Jiaying came over and asked curiously, Brother, what is Teacher Wei looking for?

There will be no group meeting in the afternoon, and we will write an overview of ITIC for Joule... Xu Qiu shared several main news with other members of the group.

Then Xu Qiu turned on the computer, logged on to the wos website, and retrieved his ITIC article published on AM.

Sure enough, this article has been identified as a highly cited and hot article.

Brother, this is your second Grand Slam article. Han Jiaying stared at Xu Qiu's computer screen and said, The number of citations in real time... Wow, it has reached 38 times. When I checked last month, it seems that It’s less than 20 times, and the number of citations to the article in the past month has doubled.”

Basic operation. Xu Qiu casually responded, saving the screenshots of Xiaoguan and Huomiao, which symbolize high citations and popular articles, and searched for the previous PCE11 work, which was his first Grand Slam article. .

Now the number of real-time citations has reached 61, and it is also a highly cited article and a hot article.

Xu Qiu originally thought that the trending mark would drop. After all, flowers bloom and fall, dynasties change, everything is like this, and an article cannot always be a hot spot.

It turned out that it didn't drop, so he had two articles on the hot articles at the same time.

Moreover, it is a job in different subdivisions, which is really rare.