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您的检索式：作者名="Pengkun Sun"
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| 1 | A precise theoretical method for high-throughput screening of novel organic electrode materials for Li-ion batteries显示文摘Organic electrode materials have gained significant attention due to their flexibility,lightweight characteristics,abundant resources in nature,and low CO_(2) emission.It's urgently needed for setting up an accurate high-throughput screening theoretical scheme that could find out possible candidates of electrode materials.Currently,the error between the theoretical potentials calculated by the PBE-D2(DFT-D2,dispersion-corrected density functional theory)method and the experimental values is larger than 12%.Thus,it's essential to finding a more accurate method.In the present work,hybrid functionals and vdW correction methods are applied to investigate six reported organic electrode materials for Li-ion batteries.The results show that the hybrid functional combined with the D2 dispersion corrected method,i.e.,HSE06-D2(Heyd,Scuseria,and Ernzerhof,dispersion-corrected),is able to predict the potential of the organic material precisely with an average error of approximately 5%.This method occupies much hardware resources and being very time consuming,but it could be applied as the final ultrafine step in the high-throughput screening program. | Wanwan Zhang Pengkun Sun Shaorui Sun | 2017 | Journal of Materiomics2017，3，3： | 2 |
| 2 | How to build good inverters from nanomaterial-based transistors显示文摘As promising components of future integrated circuits(ICs),field-effect transistors(FETs)based on semiconducting nanomaterials are being extensively investigated.As the most essential component of ICs,inverters are favored to be demonstrated at the infant stage of emerging technologies.However,systematic research is absent to reveal how the parameters of transistors affect the performance of inverters,e.g.the voltage transfer characteristics(VTCs).In this work,systematic analysis about the dependency between transistor-and inverter-level metrics have been carried out for both complementary metal-oxide-semiconductor(CMOS)and monotype(p-type-only and n-type-only)technologies,which is further experimentally demonstrated by carbon nanotube FETs and ICs.We also propose guidelines towards the high noise margin and rail-to-rail inverter design based on nanomaterials. | Pengkun Sun Nan Wei Panpan Zhang Yingjun Yang Maguang Zhu Huiwen Shi Lian-Mao Peng Zhiyong Zhang | 2023 | Nano Research2023，16，11： | 0 |
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