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Article(id=1319222639948841065, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1319222570398888648, articleNumber=null, orderNo=null, doi=10.14062/j.issn.0454-5648.20220911, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1666627200000, receivedDateStr=2022-10-25, revisedDate=1670688000000, revisedDateStr=2022-12-11, acceptedDate=null, acceptedDateStr=null, onlineDate=1792456787335, onlineDateStr=2026-10-20, pubDate=1679241600000, pubDateStr=2023-03-20, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1792456787335, onlineIssueDateStr=2026-10-20, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1792456787335, creator=13701087609, updateTime=1792456787335, updator=13701087609, issue=Issue{id=1319222570398888648, tenantId=1146029695717560320, journalId=1263187385517883426, year='2023', volume='51', issue='3', pageStart='561', pageEnd='830', issueExtLink='null', onlineDate='null', pubDate='1679241600000', pubDateStr='2023-03-20', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=0, createTime=1792456770752, creator='13701087609', updateTime=1792456924637, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1319223215889699377, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1319222570398888648, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1319223215889699378, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1319222570398888648, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=775, endPage=782, ext={EN=ArticleExt(id=1319222640150167658, articleId=1319222639948841065, tenantId=1146029695717560320, journalId=1263187385517883426, language=EN, title=Persistent Luminescence Mechanism of Sr2MgSi2O7:Eu2+,Dy3+ Long Afterglow Material Based on First-Principles Calculations, columnId=1263922769897599102, journalTitle=Journal of the Chinese Ceramic Society, columnName=Research Articles, runingTitle=null, highlight=null, articleAbstract=

Long afterglow materials are widely used, but their luminescence mechanism is difficult to be universally explained. For Sr2MgSi2O7:Eu2+, Dy3+ silicate long afterglow material with good luminescence-afterglow properties, the molecular models of Sr2MgSi2O7 substrate, Eu doped and (Eu,Dy) co-doped Sr2MgSi2O7 were constructed, and the first-principles calculations were carried out. From the perspective of electronic structure, the electron transition trapping path is revealed to explain the persistent luminescence mechanism of Sr2MgSi2O7:Eu2+, Dy3+. The results showed that the doping of Eu and Dy ions changed Sr2MgSi2O7 from an indirect band gap semiconductor to a direct band gap semiconductor. The Dy 5d state was mainly located between the Fermi level and the Eu 5d state, and it had energy overlap with the Eu 5d state, which confirmed the rationality of Dy3+ as an electron trap. The luminescence process of Sr2MgSi2O7:Eu2+, Dy3+ was revealed, which is helpful for the subsequent regulation and improvement of optical properties.

, authors=Xiaoyu YANG1, Xiangyu WANG2, Xuejuan CAO3, Boming TANG2, Ying YUAN2, authorsList=Xiaoyu YANG, Xiangyu WANG, Xuejuan CAO, Boming TANG, Ying YUAN, authorCompany=null, correspAuthors=null, authorNote=

YANG Xiaoyu (1994-), female, Ph.D., Lecturer. E-mail:

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长余辉材料应用广泛，但种类繁多、发光机理难以被普遍阐释。针对发光-余辉性能好的Sr2MgSi2O7∶Eu2+，Dy3+硅酸盐长余辉材料，构建Sr2MgSi2O7基质、Eu掺杂及（Eu，Dy）共掺杂Sr2MgSi2O7的分子模型，进行第一性原理计算。从电子结构角度解译电子跃迁俘获路径，并阐释Sr2MgSi2O7∶Eu2+，Dy3+的持续发光机理。结果表明：Eu、Dy离子的掺入使Sr2MgSi2O7由间接带隙半导体转变为直接带隙半导体；Dy 5d态主要位于Fermi能级与Eu 5d态之间，并与Eu 5d态存在能量重叠，这证实了Dy3+作为电子陷阱的合理性。Sr2MgSi2O7∶Eu2+，Dy3+发光过程的揭示有助于后续光学性能的调控与提升。

, authors=杨晓宇1, 王翔昱2, 曹雪娟3, 唐伯明2, 袁颖2, authorsList=杨晓宇, 王翔昱, 曹雪娟, 唐伯明, 袁颖, authorCompany=null, correspAuthors=null, authorNote=

杨晓宇（1994—），女，博士，讲师。

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YANG Xiaoyu (1994-), female, Ph.D., Lecturer. E-mail:

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杨晓宇（1994—），女，博士，讲师。

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杨晓宇（1994—），女，博士，讲师。

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基于第一性原理计算的Sr2MgSi2O7∶Eu2+，Dy3+长余辉材料持续发光机理
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杨晓宇 1 , 王翔昱 2 , 曹雪娟 3 , 唐伯明 2 , 袁颖 2
硅酸盐学报 | 研究论文 2023,51(3): 775-782
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硅酸盐学报 |研究论文 2023 , 51 (3) : 775 -782
基于第一性原理计算的Sr2MgSi2O7∶Eu2+，Dy3+长余辉材料持续发光机理
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杨晓宇1 , 王翔昱2, 曹雪娟3, 唐伯明2, 袁颖2
作者信息
  • 1．重庆交通大学交通运输学院，重庆 400074
  • 2．重庆交通大学土木工程学院，重庆 400074
  • 3．重庆交通大学材料科学与工程学院，重庆 400074
作者简介:

杨晓宇（1994—），女，博士，讲师。

Persistent Luminescence Mechanism of Sr2MgSi2O7:Eu2+,Dy3+ Long Afterglow Material Based on First-Principles Calculations
Xiaoyu YANG1 , Xiangyu WANG2, Xuejuan CAO3, Boming TANG2, Ying YUAN2
Affiliations
  • 1.School of Traffic and Transportation, Chongqing Jiaotong University, Chongqing 400074, China
  • 2.School of Civil Engineering, Chongqing Jiaotong University, Chongqing 400074, China
  • 3.School of Materials Science and Engineering, Chongqing Jiaotong University, Chongqing 400074, China

    • YANG Xiaoyu (1994-), female, Ph.D., Lecturer. E-mail:

出版时间: 2023-03-20 doi: 10.14062/j.issn.0454-5648.20220911
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长余辉材料应用广泛，但种类繁多、发光机理难以被普遍阐释。针对发光-余辉性能好的Sr2MgSi2O7∶Eu2+，Dy3+硅酸盐长余辉材料，构建Sr2MgSi2O7基质、Eu掺杂及（Eu，Dy）共掺杂Sr2MgSi2O7的分子模型，进行第一性原理计算。从电子结构角度解译电子跃迁俘获路径，并阐释Sr2MgSi2O7∶Eu2+，Dy3+的持续发光机理。结果表明：Eu、Dy离子的掺入使Sr2MgSi2O7由间接带隙半导体转变为直接带隙半导体；Dy 5d态主要位于Fermi能级与Eu 5d态之间，并与Eu 5d态存在能量重叠，这证实了Dy3+作为电子陷阱的合理性。Sr2MgSi2O7∶Eu2+，Dy3+发光过程的揭示有助于后续光学性能的调控与提升。

硅酸镁锶长余辉材料  /  第一性原理计算  /  发光机理  /  电子跃迁俘获

Long afterglow materials are widely used, but their luminescence mechanism is difficult to be universally explained. For Sr2MgSi2O7:Eu2+, Dy3+ silicate long afterglow material with good luminescence-afterglow properties, the molecular models of Sr2MgSi2O7 substrate, Eu doped and (Eu,Dy) co-doped Sr2MgSi2O7 were constructed, and the first-principles calculations were carried out. From the perspective of electronic structure, the electron transition trapping path is revealed to explain the persistent luminescence mechanism of Sr2MgSi2O7:Eu2+, Dy3+. The results showed that the doping of Eu and Dy ions changed Sr2MgSi2O7 from an indirect band gap semiconductor to a direct band gap semiconductor. The Dy 5d state was mainly located between the Fermi level and the Eu 5d state, and it had energy overlap with the Eu 5d state, which confirmed the rationality of Dy3+ as an electron trap. The luminescence process of Sr2MgSi2O7:Eu2+, Dy3+ was revealed, which is helpful for the subsequent regulation and improvement of optical properties.

magnesium strontium silicate long afterglow material  /  first-principles calculation  /  luminescence mechanism  /  electron transition capture
杨晓宇, 王翔昱, 曹雪娟, 唐伯明, 袁颖. 基于第一性原理计算的Sr2MgSi2O7∶Eu2+，Dy3+长余辉材料持续发光机理. 硅酸盐学报, 2023 , 51 (3) : 775 -782 . DOI: 10.14062/j.issn.0454-5648.20220911
Xiaoyu YANG, Xiangyu WANG, Xuejuan CAO, Boming TANG, Ying YUAN. Persistent Luminescence Mechanism of Sr2MgSi2O7:Eu2+,Dy3+ Long Afterglow Material Based on First-Principles Calculations[J]. Journal of the Chinese Ceramic Society, 2023 , 51 (3) : 775 -782 . DOI: 10.14062/j.issn.0454-5648.20220911
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  • 国家自然科学基金(51978115)
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2023年第51卷第3期
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doi: 10.14062/j.issn.0454-5648.20220911
  • 接收时间：2022-10-25
  • 首发时间：2026-10-20
  • 出版时间：2023-03-20
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  • 收稿日期：2022-10-25
  • 修回日期：2022-12-11
基金
国家自然科学基金(51978115)
作者信息
    1．重庆交通大学交通运输学院，重庆 400074
    2．重庆交通大学土木工程学院，重庆 400074
    3．重庆交通大学材料科学与工程学院，重庆 400074
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2种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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