I Have a Research Support System

At around five o'clock in the evening, Han Jiaying took five 3D-PDI products and boarded the school bus back to Handan Campus.

These products include Xu Qiu's third-generation 5/6/8 series, each with more than 200 mg, and her own second-generation B4T/B3T series, each with about 20 mg...

The molecular structure of Han Jiaying's second-generation product introduced several thiophene units, which added several active reaction sites. Therefore, it was not possible to adopt the method of nitration first and then selenization. Selenium atoms were introduced at the PDI position. Her second Substitute products are final generation products;

And Xu Qiu's final product is the third generation.

Of course, the final generation product here is only temporary, and can still be further optimized and iterated, but then it must be modified from the initial PDI, which is equivalent to replanning the synthesis path.

Regarding "whether it is necessary to further iterate the product", Xu Qiu and Han Jiaying discussed it before. Considering the news that Teacher Wei heard that "more than two research groups are also studying the 3D-PDI system", the two finally decided:

Don't take such big steps, it's easy to pull...

Be safe, first improve these systems at hand, and publish the core work articles first.

Therefore, on this trip, Han Jiaying brought back all the intermediate products involved in the process of synthesizing the five 3D-PDI molecules. Xu Qiu specially told her before that each intermediate product kept about 20 mg, and now you can take it directly These intermediates do various basic characterizations.

Theoretically, if the synthesis of a new material is included in a published article, the basic characterization of all intermediate products, such as NMR, elemental analysis, mass spectrometry, etc., must be fully supplemented.

Unless some of the intermediate products have been reported in the literature or are commercialized, then the literature can be directly cited, or the manufacturer of the purchase can be marked.

Based on their previous work on the PCE11 series of polymer donor materials, monomer materials can be purchased directly, so these steps are omitted, as long as the final product is characterized.

Now it is different to be a small molecule receptor, and every intermediate needs data.

Among them, Xu Qiu and Han Jiaying's system is not bad, there are not many reaction steps, and the workload will not increase too much.

However, Chen Wanqing's C1 and C4 systems have more than ten synthetic steps, that is, more than ten intermediate products, each of which requires a large amount of data, and the workload is significantly increased.

That's why she didn't want to take the time to write the article, and then post it to the third district-it's thankless.

Even if it is an article in the three districts, the data must be complete. It cannot be said that the grade of the article is not high, and the data can be short-lived. There is no reason for this.

The school bus arrived at 5:30, and it drove back to school unsteadily at 6:30.

Xu Qiu picked up Han Jiaying at the school bus stop. It was already late March, and it was already early in the spring. It was still bright at this time, and the two of them were not too presumptuous in public places on campus, and walked hand in hand in the direction of Cai.

Along the way, I met no acquaintances.

When approaching the first floor of the material, Xu Qiu saw that Han Jiaying was still holding onto his hand and did not let go, so she couldn't help teasing, "Aren't you afraid of being seen by others today?"

"Hmm..." Han Jiaying tilted her head, "When senior brother left, was there anyone else in the lab?"

"Tian Qing is here. She seems to be waiting for her girlfriends to have dinner together. I don't know if she has left now." Xu Qiu said.

"That's it." Han Jiaying hesitated for a moment, as if she had made up her mind, "If we meet, we will meet. Anyway, our relationship will be made public sooner or later."

"Seriously," Xu Qiu turned to look at the side face of the junior girl, she was slightly reddened, a little cute, and then suggested: "I can go to 216 to investigate first."

"No need, I wasn't mentally prepared before," Han Jiaying smiled, "I'm ready now."

"Okay." Xu Qiu stopped, turned around and rubbed Xuemei's hair, and she cooperated like a kitten, rubbing back and forth under his big hand.

He stayed in place for a while, then continued to walk towards the laboratory.

Not long after, the two arrived at the door of 216. The door was locked and the lights were turned off inside.

"It seems that Senior Sister Tian Qing has left." Han Jiaying said happily.

"That's right." Xu Qiu didn't point it out, and continued: "Let's transfer the synthesized product to the glove box first, and then go foraging. It's almost seven o'clock."

"Okay, I'm also a little hungry." After Han Jiaying finished speaking, she unzipped the outer layer of the schoolbag and took out a white garbage bag from the interlayer. You could vaguely see several glass bottles inside. "There are more than 20 in total. Including all products and intermediate products, I have already labeled them."

"Thank you for your hard work, eat more today." Xu Qiu took the garbage bag, and during the handover process, the bottles collided with each other, making a "clinking" sound.

"Just treat yourself to a cup of milk tea," Han Jiaying sighed softly, "Hey, I gained two catties after weighing myself a few days ago. It stands to reason that the amount of exercise I do every day is not small. Why can't I lose weight?"

While putting on his lab coat and gloves, Xu Qiu sized up the junior girl's figure.

Because she came back from the experiment in Zhangjiang, she was dressed conservatively. Her lower body was covered with denim trousers, and she couldn’t see anything. The upper body was more prominent, so he couldn’t help but look at it a few more times.

"I don't think you're fat, you should be considered thin." This is completely Xu Qiu's true thoughts, and there is no duplicity.

"That's right," Han Jiaying was a little happy, "However, it's 98 catties now, so I still have to control it, or I'll be running for three digits."

"1 meter 65, 98 catties, it is normal and easy to cut," Xu Qiu urged: "Be obedient, eat more, and gain weight, too thin is not good,"

"Okay, but..." Han Jiaying tilted her head, "It always feels like a conspiracy."

"No." Xu Qiu shook his head, sent the glass bottle together with the garbage bag to the delivery cabin, and then secretly complained, "It's not that she weighs no more than a hundred, and is either flat-chested or short. Why does she have a malfunction when she comes here?" '

Then, he entered the glove box, sorted the glass bottles into his lock box, and by the way backed up a copy in the simulation laboratory, and let the simulation experimenters explore the device performance based on five final-generation 3D-PDI products.

Compared with the rough preliminary exploration mode before, Xu Qiu made some improvements this time:

On the one hand, he fixed the choice of donors and only used PCE10 and P3TEA, the two best-performing donor materials in previous experiments.

On the other hand, he also expanded the scope of exploration of experimental conditions, and released the regulation of D/A ratio, solvent type, DIO addition ratio, etc., which were fixed before.

Overall, exploration has become more purposeful and more granular, at the cost of taking longer and consuming more credits.

However, now that the final-generation product has been obtained, the main content of the next experiment is to improve the performance of the device. It is about to have a decisive battle with these materials, and Xu Qiu naturally will not save this point.

After a week of high-intensity experiments, Xu Qiu and Han Jiaying were a little lacking in energy, so they didn't go out at night. First, they went to the WE COFFEE restaurant in the North District to order a large pot of grilled black fish. After dinner, they went back to their dormitories to rest.

Saturday afternoon.

Han Jiaying suggested going out to play, but Xu Qiu naturally had no objection, so after some discussion, the location was chosen in the exhibition hall under the Oriental Pearl Tower in Shanghai.

They made an appointment to meet downstairs in the school girl's dormitory, and Xu Qiu arrived a little earlier. After a short wait, Han Jiaying pushed open the dormitory door and trotted to his side.

Xu Qiu's eyes brightened. Today, the school girl dressed up seriously, with light makeup on, a white short coat on the upper body, a dark gray pleated skirt on the lower body, and a small pink bag across the shoulder.

The two took the subway to the landmark building of Shanghai, the Oriental Pearl Tower, bought tickets, and went to the progress hall.

One of the exhibition halls is the Aquarium, which is said to be the largest artificial seawater aquarium in the world. Through tunnels, you can be visited by various marine life such as jellyfish, fish, and giant turtles;

The other is the Impression Light Painting Art Museum, which mainly uses spatial optical illusions and light and shadow special effects. The experience is not bad, and it is more suitable for taking pictures.

After wandering around the exhibition hall for more than two hours, the two found a Southeast Asian restaurant near their home and tasted some exotic delicacies, such as Tom Yum Kung Soup, Curry Beef, Hot and Sour Chicken Feet, Roasted Pork Neck with Sweet and Spicy Sauce, Coconut Panna Cotta... …

After dinner, I took another cruise on the Pujiang River. After all, everyone has come.

The happy time is always very short. In a blink of an eye, it is Sunday and I have to go to work again.

The simulation experiment system II has been running continuously for nearly two days, and finally stopped, consuming more than 4,000 credits, and the current credit inventory is only about 3W.

The device performance data of the five systems are all available.

Among them, Xu Qiu's three-generation 5/6/8 series have the highest efficiency of 6.73%, 7.01% and 7.42% respectively;

Han Jiaying's second-generation B3T-6 and B4T-6 series have a maximum efficiency of 5.75% and 6.51% respectively.

"Up to 7.42%!"

"Even the school girl's system has a maximum of 6.51%!"

"The increase this time is huge!"

Xu Qiu was excited for a while, then gradually calmed down, looked at the result he got, and began to analyze:

The efficiency of Xuemei’s second-generation 3D-PDI series can reach 6.51%. It seems that the potential is slightly higher than my system. Unfortunately, there is no way to introduce selenium atoms to directly obtain the third-generation product.

After that, she can let her introduce selenium atoms from the source PDI molecule to try.

This simulation experiment applied a new control strategy, which took nearly two days, five receptors, two donors, a total of ten systems, and explored hundreds of conditions, saving more than ten times the time.

The increase in device efficiency is indeed very large. For my third-generation 5 series, the highest value given by the preliminary system exploration before was 5.98%, and now it has been optimized to 6.73%.

However, hundreds of conditions have been explored, and the number of repeated samples is sufficient, which also means that the upper limit of the current system has basically been reached, unless...

Make changes based on the status quo.

As for the way to change, the most direct way is of course to change the molecular structure of the material, which will not be considered for the time being.

Then we can only improve the current device processing technology ideas, that is, add experimental variables.

Just like the previous exploration of the PCE11 system, the development of methods such as thermal spin coating and spray coating is a means of adding variables.

It's just that I can only rely on myself in this aspect, and the simulation experimenters can only deduce based on my ability, and cannot improve spontaneously.

When I was doing device operation last time, I had a flash of inspiration. If I can grasp it, I may be able to go further.

In any case, it has been optimized to 7.42%, which is only 0.58% away from 8%, and there is no reason to give up.

Let's set a small goal first - 8%, which is also the current world record for the efficiency of organic photovoltaic devices based on PDI systems.

World record, here I come.