Intrinsic Origin of Superior Catalytic Properties of Tungsten-based Catalysts in Dye-sensitized Solar Cells
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- 英文论文题名：Intrinsic Origin of Superior Catalytic Properties of Tungsten-based Catalysts in Dye-sensitized Solar Cells
- 论文作者：刘艳芳 ; Xiao Zhou ; Yuzhi Hou ; Ziqi Wang ; Taihong Zhang ; 云斯宁
- 英文论文作者：Yanfang Liu ; Xiao Zhou ; Yuzhi Hou ; Ziqi Wang ; Taihong Zhang ; Sining Yun ; Functional Materials Laboratory(FML) ; Xi’an University of Architecture and Technology ; Key Laboratory of Nanomaterials and Nanotechnology of Shaanxi Province
- 年：2017
- 作者机构：西安建筑科技大学,材料与矿资学院,功能材料研究所;陕西省纳米材料与纳米技术重点实验室;
- 英文论文关键词：tungsten-based compounds ; dye-sensitized solar cells ; counter electrodes ; first-principle DFT calculations
- 会议召开时间：2017-05-27
- 会议录名称：第四届新型太阳能电池学术研讨会论文集
- 英文会议录名称：Abstract Book of the 4th Conference on New Generation Solar Cells
- 语种：英文
- 分类号：TM914.4
- 学会代码：ZKYQ
- 会议名称：第四届新型太阳能电池学术研讨会
- 会议地点：中国北京
- 主办单位：中国可再生能源学会光化学专业委员会
- 学会名称：中国科学院物理研究所清洁能源实验室
- 页数：1
- 文件大小：699k
- 原文格式：D
- 会议级别：全国
摘要
Dye-sensitized solar cells(DSSCs) have attracted considerable attention due to their unparalleled merits including low cost, environmental compatibility, and acceptable photoelectric conversion efficiency(PCE). As an essential component of DSSCs, the CE is responsible for collecting electrons from the external circuit and reducing I_3~-. To date, various counter electrodes(CEs) have been explored to replace the noble Pt in DSSCs. Tungsten(W)-based compounds(oxides, nitrides, carbides and hybrids) as CEs were widely tested in the DSSC because of their excellent properties, such as various sources, low cost, and notable electrocatalytic activity. The DSSCs assembled with I~-/I_3~- redox shuttle, based on W_(18)O_(49), W_2N, WC, and WO_3 CEs, exhibited power conversion efficiencies(PCEs) of 6.69%, 5.97% 5.20%, and 4.69%, respectively; these values were equal to or better than those of DSSCs with Pt CEs(6.52%). To clarify the mechanism of the catalytic performance of W-based CEs in DSSCs, the first-principle density functional theory(DFT) calculation was performed. Electronic density of states(DOS) revealed that the band gaps of W_(18)O_(49), W_2N, WC, and Pt were zero, whereas that of WO_3 was 1.7 e V. Wider band gaps do not facilitate electron conduction as easily as Pt. In addition, the W/O ratio(1:2.72) in W_(18)O_(49) was greater than that in WO_3(1:3), and the W/N ratio(2:1) in W_2N was greater than that in WC(1:1). Higher ratios of W/(O or N) favored the electrocatalytic activity of the CEs in the reduction of I_3~- in DSSCs. This is the intrinsic reason why W-based CEs exhibit different catalytic properties in DSSCs. To promote the W-based DSSCs commercial application, the novel systems using Cu-mediated redox shuttles, Y123 dye and D35 dye, should be tested in DSSCs in the future.
Dye-sensitized solar cells(DSSCs) have attracted considerable attention due to their unparalleled merits including low cost, environmental compatibility, and acceptable photoelectric conversion efficiency(PCE). As an essential component of DSSCs, the CE is responsible for collecting electrons from the external circuit and reducing I_3~-. To date, various counter electrodes(CEs) have been explored to replace the noble Pt in DSSCs. Tungsten(W)-based compounds(oxides, nitrides, carbides and hybrids) as CEs were widely tested in the DSSC because of their excellent properties, such as various sources, low cost, and notable electrocatalytic activity. The DSSCs assembled with I~-/I_3~- redox shuttle, based on W_(18)O_(49), W_2N, WC, and WO_3 CEs, exhibited power conversion efficiencies(PCEs) of 6.69%, 5.97% 5.20%, and 4.69%, respectively; these values were equal to or better than those of DSSCs with Pt CEs(6.52%). To clarify the mechanism of the catalytic performance of W-based CEs in DSSCs, the first-principle density functional theory(DFT) calculation was performed. Electronic density of states(DOS) revealed that the band gaps of W_(18)O_(49), W_2N, WC, and Pt were zero, whereas that of WO_3 was 1.7 e V. Wider band gaps do not facilitate electron conduction as easily as Pt. In addition, the W/O ratio(1:2.72) in W_(18)O_(49) was greater than that in WO_3(1:3), and the W/N ratio(2:1) in W_2N was greater than that in WC(1:1). Higher ratios of W/(O or N) favored the electrocatalytic activity of the CEs in the reduction of I_3~- in DSSCs. This is the intrinsic reason why W-based CEs exhibit different catalytic properties in DSSCs. To promote the W-based DSSCs commercial application, the novel systems using Cu-mediated redox shuttles, Y123 dye and D35 dye, should be tested in DSSCs in the future.
Dye-sensitized solar cells(DSSCs) have attracted considerable attention due to their unparalleled merits including low cost, environmental compatibility, and acceptable photoelectric conversion efficiency(PCE). As an essential component of DSSCs, the CE is responsible for collecting electrons from the external circuit and reducing I_3~-. To date, various counter electrodes(CEs) have been explored to replace the noble Pt in DSSCs. Tungsten(W)-based compounds(oxides, nitrides, carbides and hybrids) as CEs were widely tested in the DSSC because of their excellent properties, such as various sources, low cost, and notable electrocatalytic activity. The DSSCs assembled with I~-/I_3~- redox shuttle, based on W_(18)O_(49), W_2N, WC, and WO_3 CEs, exhibited power conversion efficiencies(PCEs) of 6.69%, 5.97% 5.20%, and 4.69%, respectively; these values were equal to or better than those of DSSCs with Pt CEs(6.52%). To clarify the mechanism of the catalytic performance of W-based CEs in DSSCs, the first-principle density functional theory(DFT) calculation was performed. Electronic density of states(DOS) revealed that the band gaps of W_(18)O_(49), W_2N, WC, and Pt were zero, whereas that of WO_3 was 1.7 e V. Wider band gaps do not facilitate electron conduction as easily as Pt. In addition, the W/O ratio(1:2.72) in W_(18)O_(49) was greater than that in WO_3(1:3), and the W/N ratio(2:1) in W_2N was greater than that in WC(1:1). Higher ratios of W/(O or N) favored the electrocatalytic activity of the CEs in the reduction of I_3~- in DSSCs. This is the intrinsic reason why W-based CEs exhibit different catalytic properties in DSSCs. To promote the W-based DSSCs commercial application, the novel systems using Cu-mediated redox shuttles, Y123 dye and D35 dye, should be tested in DSSCs in the future.
引文
[1]S.Yun,Y.Liu,T.Zhang,S.Ahmad,Nanoscale,7(2015),11877-11893.
[2]S.Yun,A.Hagfeldt,T.Ma,Advanced Materials,26(2014),6210-6237.
[3]T.Zhang,S.Yun,X.Li,X.Huang,Y.Hou,Y.Liu,J.Li,X.Zhou,W.Fang,Journal of Power Sources,340(2017),325-336.
[4]Y.Liu,S.Yun,X.Zhou,T.Zhang,J.Li,Y.Hou,Electrochimica Acta,Accepted.
[2]S.Yun,A.Hagfeldt,T.Ma,Advanced Materials,26(2014),6210-6237.
[3]T.Zhang,S.Yun,X.Li,X.Huang,Y.Hou,Y.Liu,J.Li,X.Zhou,W.Fang,Journal of Power Sources,340(2017),325-336.
[4]Y.Liu,S.Yun,X.Zhou,T.Zhang,J.Li,Y.Hou,Electrochimica Acta,Accepted.