羅其全

男， 安徽大學(xué)物質(zhì)科學(xué)與信息技術(shù)研究院， 教授/研究員/教授級(jí)高工或同等級(jí)別

學(xué)習(xí)/工作經(jīng)歷

2002.09-2006.06 皖西學(xué)院，數(shù)理系，物理學(xué)，本科；
2006.09-2009.06 安徽大學(xué)，物理與材料科學(xué)學(xué)院，材料學(xué)，碩士；
2009.10-2013.10 德國(guó)羅斯托克大學(xué)，萊布尼茨催化所，化學(xué)，博士；
2014.03-2018.01 中國(guó)科學(xué)技術(shù)大學(xué)，化學(xué)與材料科學(xué)學(xué)院，博士后；
2018.02-2019.09 中國(guó)科學(xué)技術(shù)大學(xué)，微尺度物質(zhì)科學(xué)國(guó)家研究中心，副研究員；
2019.09-至今 安徽大學(xué)，物質(zhì)科學(xué)與信息技術(shù)研究院，教授。

研究領(lǐng)域和興趣

計(jì)算催化

主要業(yè)績(jī)

申請(qǐng)人長(zhǎng)期致力于運(yùn)用理論與計(jì)算化學(xué)手段在催化劑理性設(shè)計(jì)及機(jī)制、協(xié)助實(shí)驗(yàn)課題組解析實(shí)際催化機(jī)制領(lǐng)域開(kāi)展研究，承擔(dān)了國(guó)家重點(diǎn)研發(fā)項(xiàng)目、基金委區(qū)域聯(lián)合重點(diǎn)項(xiàng)目、國(guó)家自然科學(xué)基金青年項(xiàng)目和面上項(xiàng)目、安徽省教育廳的高校協(xié)同創(chuàng)新項(xiàng)目等，已在國(guó)內(nèi)外學(xué)術(shù)期刊上發(fā)表100余篇文，論文被引8200余次，H-index為35（Google 學(xué)術(shù)數(shù)據(jù)）。其中，以（共）一/通訊作者身份，在Nature、Nat. Catal.、Chem、Nat. Commun.（4篇）、Angew. Chem. Int. Ed.（2篇）等期刊上發(fā)表50余篇，相關(guān)研究成果被教育部評(píng)為2019年度“中國(guó)高等學(xué)校十大科技進(jìn)展”。

代表成果

1) Zhiyuan Xia#, Xiangyu Zhu#, Xing Chen, Yanan Zhou*, Qiquan Luo*, Jinlong Yang*. Unveiling the Composition-Dependent Catalytic Mechanism of Pt–Ni Alloys for Oxygen Reduction: A First-Principles Study. The Journal of Physical Chemistry Letters, 15(38), 9566-9574, 2024. https://doi.org/10.1021/acs.jpclett.4c02164
2) Xiangyu Zhu#, Mingqi He#, Xing Chen, Yanan Zhou, Chang Xu, Xingxing Li, Qiquan Luo*, Jinlong Yang*. First-Principles Insights into Tungsten Semicarbide-Based Single-Atom Catalysts: Single-Atom Migration and Mechanisms in Oxygen Reduction. The Journal of Physical Chemistry Letters, 15(10), 2815-2824, 2024. https://doi.org/10.1021/acs.jpclett.4c00398
3) Xing Chen#, Xiangyu Zhu#, Zhiyuan Xia, Shiting Qian, Yanan Zhou*, Qiquan Luo*, Jinlong Yang*. 2D conductive metal–organic frameworks for NO electrochemical reduction: a first-principles study. Journal of Materials Chemistry A, 12(35), 23612-23621, 2024. https://doi.org/10.1039/D4TA04795H
4) Mingqi He, Yanan Zhou, Qiquan Luo*, Jinlong Yang*. Platinum monolayer dispersed on MXenes for electrocatalyzed hydrogen evolution: a first-principles study. Nanoscale, 16(33),15670-15676, 2024. https://doi.org/10.1039/D4NR01864H
5) Mingqi He, Xing Chen, Yanan Zhou, Chang Xu, Xingxing Li, Qiquan Luo*, Jinlong Yang*. A first-principles study of regulating spin states of MoSi2N4 supported single-atom catalysts via doping strategy for enhancing electrochemical nitrogen fixation activity. The Journal of Physical Chemistry Letters, 14(31), 7100-7107, 2023. https://doi.org/10.1021/acs.jpclett.3c01576
6) Sen Ru#, Mingqi He#, Yanan Zhou, Chang Xu, Qiquan Luo*, Jinlong Yang*. Theoretical and comparative analysis of graphdiyne and confined flexible nitrogen-doped graphdiyne-supported single-atom catalysts for electrochemical nitrogen reduction. The Journal of Physical Chemistry C, 126(43),18282-18291, 2022. https://doi.org/10.1021/acs.jpcc.2c04227
7) Huihui Zhang#, Chang Xu#, Xiaowen Zhan*, Yu Yu, Kaifu Zhang, Qiquan Luo*, Shan Gao*, Jinlong Yang, Yi Xie*. Mechanistic insights into CO2 conversion chemistry of copper bis-(terpyridine) molecular electrocatalyst using accessible operando spectrochemistry. Nature Communications, 13(1),6029, 2022. https://doi.org/10.1038/s41467-022-33689-9
8) Wenhua Zhang#, Qiang Fu#, Qiquan Luo#, Li Sheng, Jinlong Yang*. Understanding single-atom catalysis in view of theory. JACS Au, 1(12), 2130-2145, 2021. https://doi.org/10.1021/jacsau.1c00384
9) Lina Cao#, Wei Liu#, Qiquan Luo#, Ruoting Yin, Bing Wang, Jonas Weissenrieder, Markus Soldemo, Huan Yan, Yue Lin, Zhihu Sun, Chao Ma, Wenhua Zhang, Si Chen, Hengwei Wang, Qiaoqiao Guan, Tao Yao, Shiqiang Wei*, Jinlong Yang*, Junling Lu*. Atomically dispersed iron hydroxide anchored on Pt for preferential oxidation of CO in H2. Nature, 565, 631-635, 2019. https://doi.org/10.1038/s41586-018-0869-5
10) Linlin Cao#, Qiquan Luo #, Wei Liu #, Yue Lin, Xiaokang Liu, Yuanjie Cao, Wei Zhang, Yuen Wu, Jinlong Yang, Tao Yao*, Shiqiang Wei*. Identification of single atomic active site in carbon-based cobalt catalysts during electrocatalytic hydrogen evolution. Nature Catalysis 2, 134-141, 2019. https://doi.org/10.1038/s41929-018-0203-5

*以上信息由高級(jí)會(huì)員個(gè)人更新和維護(hù)。