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| 1 | Surface Oxygen Injection in Tin Disulfide Nanosheets for Efficient CO_(2) Electroreduction to Formate and Syngas显示文摘Surface chemistry modification represents a promising strategy to tailor the adsorption and activation of reaction intermediates for enhancing activity.Herein,we designed a surface oxygen-injection strategy to tune the electronic structure of SnS_(2) nanosheets,which showed effectively enhanced electrocatalytic activity and selectivity of CO_(2) reduction to formate and syngas(CO and H_(2)).The oxygen-injection SnS_(2) nanosheets exhibit a remarkable Faradaic efficiency of 91.6%for carbonaceous products with a current density of 24.1 mA cm^(−2) at−0.9 V vs RHE,including 83.2%for formate production and 16.5%for syngas with the CO/H_(2) ratio of 1:1.By operando X-ray absorption spectroscopy,we unravel the in situ surface oxygen doping into the matrix during reaction,thereby optimizing the Sn local electronic states.Operando synchrotron radiation infrared spectroscopy along with theoretical calculations further reveals that the surface oxygen doping facilitated the CO_(2) activation and enhanced the affinity for HCOO*species.This result demonstrates the potential strategy of surface oxygen injection for the rational design of advanced catalysts for CO_(2) electroreduction. | Tao Chen Tong Liu Tao Ding Beibei Pang Lan Wang Xiaokang Liu Xinyi Shen Sicong Wang Dan Wu Dong Liu Linlin Cao Qiquan Luo Wei Zhang Wenkun Zhu Tao Yao | 2021 | Nano-Micro Letters2021，13，11： | 3 |
| 2 | Dual-metal atoms embedded into two-dimensional covalent organic framework as efficient electrocatalysts for oxygen evolution reaction:A DFT study显示文摘The electrochemical oxygen evolution reaction(OER)is a half-reaction of water-splitting for hydrogen generation,yet suffers from its sluggish kinetics and large overpotential.It is highly desirable to develop efficient and stable OER electrocatalysts for the advancement of water-splitting.Herein,by means of density functional theory(DFT)calculations,we systematically investigated a series of two-dimensional(2D)dual-atom catalysts(DACs)on a novel synthesized covalent organic framework(COF)material as potential efficient catalysts toward the OER.The designed 6 homonuclear(2TM-COF)and 15 heteronuclear(TM1TM2-COF)DACs all exhibit good stability.There is a strong scaling relationship between the adsorption Gibbs free energies of HO*and HOO*intermediates,and the OER overpotential(η^(OER))volcano curve can be plotted as a function ofΔGO*−ΔGHO*.RhIr-COF shows the best OER catalytic activity with aη^(OER)value of 0.29 V,followed by CoNi-COF(0.33 V),RuRh-COF(0.34 V),and NiIrCOF(0.37 V).These four OER DACs exhibit lower onset potential and higher current density than that of the IrO2(110)benchmark catalyst.Aided by the descriptor identification study,the Bader charge that correlated with the Pauling electronegativity of the embedded dual-metal atoms was found to be the most important factor governing the catalytic activity of the OER.Our work highlights a potentially efficient class of 2D COF-based DACs toward the OER. | Yanan Zhou Lanlan Chen Li Sheng Qiquan Luo Wenhua Zhang Jinlong Yang | 2022 | Nano Research2022，15，9： | 2 |
| 3 | Spatio- temporal variations and factors affecting soil nitrogen in the purple hilly area of Southwest China during the 1980s and the 2010s 显示文摘 | Qiquan Li Youlin Luo Changquan Wang | 2016 | Science of the Total Environment2016，547，： | 1 |
| 4 | Low-loading gold in situ doped with sulfur by biomolecule-assisted approach for promoted electrochemical carbon dioxide reduction显示文摘For electrochemical carbon dioxide reduction(CO_(2)RR),CO_(2)-to-CO conversion is considered an ideal route towards carbon neutrality for practical applications.Gold(Au)is known as a promising catalyst with high selectivity for CO;however,it suffers from high cost and low mass-specific activity.In this study,we design and prepare a catalyst featuring uniform S-doped Au nanoparticles on N-doped carbon support(denoted as S-Au/NC)by an in situ synthesis strategy using biomolecules.The S-Au/NC displays high activity and selectivity for CO in CO_(2)RR with a Au loading as low as 0.4 wt.%.The Faradaic efficiency of CO(FECO)for S-Au/NC is above 95%at−0.75 V(vs.RHE);by contrast,the FECO of Au/NC(without S)is only 58%.The Tafel slope is 77.4 mV·dec−1,revealing a favorable kinetics process.Furthermore,S-Au/NC exhibits an excellent long-term stability for CO_(2)RR.Density functional theory(DFT)calculations reveal that the S dopant can boost the activity by reducing the free energy change of the potential-limiting step(formation of the*COOH intermediate).This work not only demonstrates a model catalyst featuring significantly reduced use of noble metals,but also establishes an in situ synthesis strategy for preparing high-performance catalysts. | Meijie Tan Xiaoqian Han Sen Ru Chao Zhang Zhouru Ji Zhaolin Shi Guomeng Qiao Yunying Wang Ruixue Cui Qiquan Luo Jiqing Jiao Yaguang Li Tongbu Lu | 2023 | Nano Research2023，16，2： | 1 |
| 5 | Adsorption of Nin(n=1-4)clusters on perfect and O-defective CuAl2O4 surfaces:A DFT study显示文摘The density functional theory was employed to investigate the adsorption of Nin (n=1–4) on the perfect and O-defect CuAl2O4 surfaces. The computational results show that for single Ni atom on the perfect spinel (100) surface, the adsorption energy is-5.30 eV, much larger than Ni on other CuAl2O4 surfaces. The adsorption of Nin (n=1–4) absorbed on the O-defect CuAl2O4 (100) surface is less stable than on the perfect CuAl2O4 (100) surface. However, the adsorption energy for Nin (n=1–4) on the O-defect CuAl2O4 (110) surface is close to on the perfect CuAl2O4 (110) surface. Bader charge and partial density of states (PDOS) analysis revel that the adsorption of Ni on the CuAl2O4 spinel surface is accompanied by charge transfer from the metal to the support. The growth and aggregations analysis show that the general growth and aggregation ability for Nin clusters follow the order:gas phase>γ-Al2O3 (110)>CuAl2O4 (110)>CuAl2O4 (100). This result can give reasonable explanations for the experimental phenomenon that Ni supported on the CuAl2O4 spinel performs much better stability than on the γ-Al2O3. | Li Li Liu Shi Xiaohu Yu Shaojun Qing Zhixian Gao Qiquan Luo Gang Feng Rongbin Zhang | 2019 | Chinese Chemical Letters2019，30，6： | 1 |
| 6 | Medical Continuing Education:Reform of Teaching Methods about High Altitude Disease in China显示文摘 | Yongjun Luo Qiquan Zhou Jianjun Huang | 2013 | High Altitude Medicine&Biology2013，14，2： | 1 |
| 7 | Atmospheric CO_(2) capture and photofixation to near-unity CO by Ti^(3+)-V_(o)-Ti^(3+) sites confined in TiO_(2) ultrathin layers显示文摘To realize efficient atmospheric CO_(2) chemisorption and activation,abundant Ti^(3+) sites and oxygen vacancies in TiO_(2) ultrathin layers were designed.Positron annihilation lifetime spectroscopy and theoretical calculations first unveil each oxygen vacancy is associated with the formation of two Ti^(3+)sites,giving a Ti^(3+)-V_(o)-Ti^(3+) configuration.The Ti^(3+)-V_(o)-Ti^(3+) sites could bond with CO_(2) molecules to form a stable configuration,which converted the endoergic chemisorption step to an exoergic process,verified by in-situ Fourier-transform infrared spectra and theoretical calculations.Also,the adjacent Ti^(3+)sites not only favor CO_(2) activation into COOH*via forming a stable Ti^(3+)–C–O–Ti^(3+) configuration,but also facilitate the rate-limiting COOH^(*)scission to CO^(*)by reducing the energy barrier from 0.75 to 0.45 e V.Thus,the Ti^(3+)-V_(o)-TiO_(2) ultrathinlayers could directly capture and photofix atmospheric CO_(2) into near-unity CO,with the corresponding CO_(2)-to-CO conversion ratio of ca.20.2%. | Liang Liang Peiquan Ling Yuhuan Li Li Li Jiandang Liu Qiquan Luo Hongjun Zhang Qian Xu Yang Pan Junfa Zhu Bangjiao Ye Yongfu Sun | 2021 | Science China Chemistry2021，64，6： | 0 |
| 8 | Regulating atomic Fe-Rh site distance for efficient oxygen reduction reaction显示文摘Exploring the atomic interaction mechanisms of dense single-atom catalysts(SACs)is of great significance for their application in oxygen reduction reaction(ORR).However,the intrinsic mechanism of the site-distance effect on the catalytic performance has been largely ignored.Here,we demonstrate the site-distance effect of Fe-Rh_(x)@NC catalysts in ORR theoretically and experimentally.Bader charge analysis reveals that the strong interaction between Fe and Rh atoms at a certain atomic distance(dFe-Rh)alters the catalytic electronic structure,facilitating the optimization of catalyst adsorption strength.Motivated by the theoretical calculations,we designed and synthesized the Fe-Rhx@NC catalysts through a spatial confinement strategy.The characterization results prove that the Fe-Rh_(2)@NC has the optimal d_(Fe-Rh),which improves its intrinsic ORR activity,providing a half wave potential of 0.91 V,higher than that of the commercial Pt/C(0.86 V).This study emphasizes the importance of determining the basic mechanism of the site-distance effect in dissimilar metal atoms catalysts,which is conducive to the design of efficient catalyst systems for practical applications. | Tong Liu Yudan Chen Airong Xu Xiaokang Liu Dong Liu Sicheng Li Hui Huang Li Xu Shuaiwei Jiang Qiquan Luo Tao Ding Tao Yao | 2024 | Science China Chemistry2024，67，4： | 0 |
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