Pub Date : 2024-02-01DOI: 10.1063/1674-0068/37/01/cabs
{"title":"Chinese Abstracts","authors":"","doi":"10.1063/1674-0068/37/01/cabs","DOIUrl":"https://doi.org/10.1063/1674-0068/37/01/cabs","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":1.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140463300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Low photoluminescence (PL) quantum yield of molybdenum disulfide (MoS2) quantum dots (QDs) has limited practical application as potential fluorescent materials. Here, we report the intercalation of aluminum ion (Al3+) to enhance the PL of MoS2 QDs and the underlying mechanism. With detailed characterization and exciton dynamics study, we suggest that additional surface states including new emission centers have been effectively introduced to MoS2 QDs by the Al3+ intercalation. The synergy of new radiative pathway for exciton recombination and the passivation of non-radiative surface traps is responsible for the enhanced fluorescence of MoS2 QDs. Our findings demonstrate an efficient strategy to improve the optical properties of MoS2 QDs and are important for understanding the regulation effect of surface states on the emission of two dimensional sulfide QDs.
{"title":"Photoluminescence enhancement of aluminum ion intercalated MoS2 quantum dots","authors":"Yanmin Kuang, Wenli He, Zhichao Zhu, Yaru Chen, Dongwei Ma, Xiaojuan Wang, Lijun Guo, Yulu He, Zhen Chi, Xia Ran, Luogang Xie","doi":"10.1063/1674-0068/cjcp2206101","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2206101","url":null,"abstract":"Low photoluminescence (PL) quantum yield of molybdenum disulfide (MoS2) quantum dots (QDs) has limited practical application as potential fluorescent materials. Here, we report the intercalation of aluminum ion (Al3+) to enhance the PL of MoS2 QDs and the underlying mechanism. With detailed characterization and exciton dynamics study, we suggest that additional surface states including new emission centers have been effectively introduced to MoS2 QDs by the Al3+ intercalation. The synergy of new radiative pathway for exciton recombination and the passivation of non-radiative surface traps is responsible for the enhanced fluorescence of MoS2 QDs. Our findings demonstrate an efficient strategy to improve the optical properties of MoS2 QDs and are important for understanding the regulation effect of surface states on the emission of two dimensional sulfide QDs.","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136199708","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zero-dimensional environmentally friendly carbon quantum dots (CQDs) combined with two-dimensional materials have a wide range of applications in optoelectronic devices. We combined steady-state and transient absorption spectroscopies to study the energy transfer dynamics between CQDs and molybdenum disulfide (MoS2). Transient absorption plots showed photoinduced absorption and stimulated emission features, which involved the intrinsic and defect states of CQDs. Adding MoS2 to CQDs solution, the lowest unoccupied molecular orbital of CQDs transferred energy to MoS2, which quenched the intrinsic emission at 390 nm. With addition of MoS2, CQD-MoS2 composites quenched defect emission at 490 nm and upward absorption, which originated from another energy transfer from the defect state. Two energy transfer paths between CQDs and MoS2 were efficiently manipulated by changing the concentration of MoS2, which laid a foundation for improving device performance.
{"title":"Energy transfer dynamics between carbon quantum dots and molybdenum disulfide revealed by transient absorption spectroscopy","authors":"Ruixiang Wu, Xin Liu, Xiaoshuai Wang, Jingjing Luo, Bin Li, Shengzhi Wang, Xiangyang Miao","doi":"10.1063/1674-0068/cjcp2208129","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2208129","url":null,"abstract":"Zero-dimensional environmentally friendly carbon quantum dots (CQDs) combined with two-dimensional materials have a wide range of applications in optoelectronic devices. We combined steady-state and transient absorption spectroscopies to study the energy transfer dynamics between CQDs and molybdenum disulfide (MoS2). Transient absorption plots showed photoinduced absorption and stimulated emission features, which involved the intrinsic and defect states of CQDs. Adding MoS2 to CQDs solution, the lowest unoccupied molecular orbital of CQDs transferred energy to MoS2, which quenched the intrinsic emission at 390 nm. With addition of MoS2, CQD-MoS2 composites quenched defect emission at 490 nm and upward absorption, which originated from another energy transfer from the defect state. Two energy transfer paths between CQDs and MoS2 were efficiently manipulated by changing the concentration of MoS2, which laid a foundation for improving device performance.","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136199707","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-01DOI: 10.1063/1674-0068/36/05/cabs
{"title":"Chinese Abstracts","authors":"","doi":"10.1063/1674-0068/36/05/cabs","DOIUrl":"https://doi.org/10.1063/1674-0068/36/05/cabs","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136199705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-01DOI: 10.1063/1674-0068/cjcp1405094-1
Rui Xu, Zi-lu Wang, Xue-hao He
We regret to announce that two parameters (θ0, rc) were found incorrect after publication due to the author’s typing errors. The two parameters were published in Chin. J. Chem. Phys. 27, 663–671 (2014). DOI: https://doi.org/10.1063/1674-0068/27/06/663-671. In page 664, in the sentence “Similarly, a small equilibrium angle (θ0 = 10°) with the bending constant (kangle = 20 kJ/(mol·rad2)) is empirically selected to stabilize the bilayer structure.”, “θ0 = 10°” should be corrected as “θ0 = 30°”. In page 665, in the sentence “In the present CG model rc is set as 2.772 nm and the start position of r1 = 2.25 nm.”, “rc is set as 2.772 nm” should be corrected as “rc is set as 2.722 nm”. The two parameters (θ0, rc) of the model used in the work are the same as those of the work [J. Phys. Chem. B 120, 2262–2270 (2016)].
{"title":"Author Correction to “Mesoscale Simulation of Vesiculation of Lipid Droplets”","authors":"Rui Xu, Zi-lu Wang, Xue-hao He","doi":"10.1063/1674-0068/cjcp1405094-1","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp1405094-1","url":null,"abstract":"We regret to announce that two parameters (θ0, rc) were found incorrect after publication due to the author’s typing errors. The two parameters were published in Chin. J. Chem. Phys. 27, 663–671 (2014). DOI: https://doi.org/10.1063/1674-0068/27/06/663-671. In page 664, in the sentence “Similarly, a small equilibrium angle (θ0 = 10°) with the bending constant (kangle = 20 kJ/(mol·rad2)) is empirically selected to stabilize the bilayer structure.”, “θ0 = 10°” should be corrected as “θ0 = 30°”. In page 665, in the sentence “In the present CG model rc is set as 2.772 nm and the start position of r1 = 2.25 nm.”, “rc is set as 2.772 nm” should be corrected as “rc is set as 2.722 nm”. The two parameters (θ0, rc) of the model used in the work are the same as those of the work [J. Phys. Chem. B 120, 2262–2270 (2016)].","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136199706","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Thermal and photothermal catalytic selective oxidation of isobutane to methacrylic acid (MAA) are comparatively studied over a keggin-type Cs2.9Cu0.34V0.49PMo12O40 heteropolyacid acid. An introduction of light was observed to enhance both the i-C4H10 conversion and the MAA selectivity, and consequently the MAA formate rate, particularly at low temperatures. Characterization results show that oxidation of methacrolein (MAL) to MAA is the rate-limiting step while UV light illumination promotes the oxidation of σ-bonded MAL with OH groups to σ-bonded MAA on the catalyst surface. These results demonstrate a synergistic effect of thermal catalysis and photocatalysis in selective oxidation of isobutane to MAA, which suggests photothermal catalysis as a promising strategy to catalyze the selective oxidation of higher hydrocarbons at relative mild reaction conditions.
{"title":"Photothermal catalytic selective oxidation of isobutane to methacrylic acid over keggin-type heteropolyacid","authors":"Yichuan Wang, Xiao Sun, Zeyue Wei, Xuanyu Zhang, Weixin Huang","doi":"10.1063/1674-0068/cjcp2305056","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2305056","url":null,"abstract":"Thermal and photothermal catalytic selective oxidation of isobutane to methacrylic acid (MAA) are comparatively studied over a keggin-type Cs2.9Cu0.34V0.49PMo12O40 heteropolyacid acid. An introduction of light was observed to enhance both the i-C4H10 conversion and the MAA selectivity, and consequently the MAA formate rate, particularly at low temperatures. Characterization results show that oxidation of methacrolein (MAL) to MAA is the rate-limiting step while UV light illumination promotes the oxidation of σ-bonded MAL with OH groups to σ-bonded MAA on the catalyst surface. These results demonstrate a synergistic effect of thermal catalysis and photocatalysis in selective oxidation of isobutane to MAA, which suggests photothermal catalysis as a promising strategy to catalyze the selective oxidation of higher hydrocarbons at relative mild reaction conditions.","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136199704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.1063/1674-0068/cjcp2207111
Shiyan Cao, Sulei Hu, Wei-Xue Li
Revealing the fundamental mechanisms governing reactant-induced disintegration of supported metal nanoparticles and their dependences on the metal component and reactant species is vital for improving the stability of supported metal nanocatalysts and single-atom catalysts. Here we use first-principles based disintegration thermodynamics to study the CO- and OH- induced disintegration of Ag, Cu, Au, Ni, Pt, Rh, Ru, and Ir nanoparticles into metal-reactant complexes (M(CO)n, M(OH)n, n=1 and 2) on the pristine and bridge oxygen vacancy site of TiO2(110). It was found that CO has a stronger interaction with these considered transition metals compared to OH, resulting in lower formation energy and a larger promotion effect on the disintegration of nanoparticles (NPs). The corresponding reactant adsorption energy shows a linear dependence on the metal cohesive energy, and metals with higher cohesive energies tend to have higher atomic stability due to their stronger binding with reactant and support. Further disintegration free energy calculations of NPs into metal-reactant complexes indicate only CO-induced disintegration of Ni, Rh, Ru, and Ir nanoparticles is thermodynamically feasible. These results provide a deeper understanding of reactant-induced disintegration of metal nanoparticles into thermodynamically stable metal single-atom catalysts.
{"title":"First-principles thermodynamics study of CO/OH induced disintegration of precious metal nanoparticles on TiO2(110)","authors":"Shiyan Cao, Sulei Hu, Wei-Xue Li","doi":"10.1063/1674-0068/cjcp2207111","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2207111","url":null,"abstract":"Revealing the fundamental mechanisms governing reactant-induced disintegration of supported metal nanoparticles and their dependences on the metal component and reactant species is vital for improving the stability of supported metal nanocatalysts and single-atom catalysts. Here we use first-principles based disintegration thermodynamics to study the CO- and OH- induced disintegration of Ag, Cu, Au, Ni, Pt, Rh, Ru, and Ir nanoparticles into metal-reactant complexes (M(CO)n, M(OH)n, n=1 and 2) on the pristine and bridge oxygen vacancy site of TiO2(110). It was found that CO has a stronger interaction with these considered transition metals compared to OH, resulting in lower formation energy and a larger promotion effect on the disintegration of nanoparticles (NPs). The corresponding reactant adsorption energy shows a linear dependence on the metal cohesive energy, and metals with higher cohesive energies tend to have higher atomic stability due to their stronger binding with reactant and support. Further disintegration free energy calculations of NPs into metal-reactant complexes indicate only CO-induced disintegration of Ni, Rh, Ru, and Ir nanoparticles is thermodynamically feasible. These results provide a deeper understanding of reactant-induced disintegration of metal nanoparticles into thermodynamically stable metal single-atom catalysts.","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135004002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.1063/1674-0068/36/04/cabs
{"title":"Chinese Abstracts","authors":"","doi":"10.1063/1674-0068/36/04/cabs","DOIUrl":"https://doi.org/10.1063/1674-0068/36/04/cabs","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135003999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.1063/1674-0068/cjcp2110215
Hai-Zhen Yu, Li Wang, Chuan-Kui Wang, Zhen Xie
The oxygen reduction reaction (ORR) by the nitrogen-doped fullerene (C59N) catalyst demonstrates an excellent activity in hydrogen fuel cells. However, the intermediates and catalytic active sites in pathways have not been directly characterized, hindering the understanding of the enhanced activity mechanism for ORR on C59N. By taking the inhomogeneity of spatially confined plasmon into account, we theoretically propose that the high-resolution tip-enhanced Raman scattering (TERS) can effectively identify different intermediate configurations in ORR on C59N. With the modulation of the focused spatially confined plasmon center position, vibrational modes that are directly related to site-specific O2-C59N interactions in ORR can be lighted up and then selected out by TERS spectra. Furthermore, the vibration-resolved TERS images for the selected modes of different intermediate configurations give spatial hot spot around the adsorption site, providing the in-situ details of catalytic active sites in ORR on C59N. These findings serve as a good reference for future high-resolution TERS experiments on probing catalytic systems at the molecular scale.
{"title":"Identifying intermediates of oxygen reduction reaction on nitrogen-doped fullerene by high-resolution tip-enhanced Raman scattering","authors":"Hai-Zhen Yu, Li Wang, Chuan-Kui Wang, Zhen Xie","doi":"10.1063/1674-0068/cjcp2110215","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2110215","url":null,"abstract":"The oxygen reduction reaction (ORR) by the nitrogen-doped fullerene (C59N) catalyst demonstrates an excellent activity in hydrogen fuel cells. However, the intermediates and catalytic active sites in pathways have not been directly characterized, hindering the understanding of the enhanced activity mechanism for ORR on C59N. By taking the inhomogeneity of spatially confined plasmon into account, we theoretically propose that the high-resolution tip-enhanced Raman scattering (TERS) can effectively identify different intermediate configurations in ORR on C59N. With the modulation of the focused spatially confined plasmon center position, vibrational modes that are directly related to site-specific O2-C59N interactions in ORR can be lighted up and then selected out by TERS spectra. Furthermore, the vibration-resolved TERS images for the selected modes of different intermediate configurations give spatial hot spot around the adsorption site, providing the in-situ details of catalytic active sites in ORR on C59N. These findings serve as a good reference for future high-resolution TERS experiments on probing catalytic systems at the molecular scale.","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135004000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-06-01DOI: 10.1063/1674-0068/36/03/cabs
{"title":"Chinese Abstracts","authors":"","doi":"10.1063/1674-0068/36/03/cabs","DOIUrl":"https://doi.org/10.1063/1674-0068/36/03/cabs","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136350426","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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