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中国地质文献-英文(2)	SpringerLink电子期刊(2239)	NATURE电子期刊(118)	Elsevier电子期刊(4952)
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在“Elsevier电子期刊”中，命中：4,952条，耗时：0.0659697 秒

在所有数据库中总计命中：9,078条

1.Specific features investigation of the AE₂ZnN₂ (AE=Ca, Sr, Ba) compounds from indirect to direct band gap: DFT study

作者：Abdul Basit^a ; G. Murtaza^b ; Asif Mahmood^c ; Saleem Ayaz Khan^d ; M. Aneel^b ; Abdullah Yar^e ; Kin Mun Wong^f ; ^{km2002wong@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; ^{km2002wong@yahoo.com.sg" class="auth_mail" title="E-mail the corresponding author} ; ^{kmwong@kinmunwong.me" class="auth_mail" title="E-mail the corresponding author}

关键词：FP-LAPW ; Electronic structure ; Optoelectronic ; Thermoelectrics

刊名：Materials Science in Semiconductor Processing

出版年：2017

2.Structural and electronic properties of zigzag and armchair WSe₂ nanotubes

作者：Ben-Ling Gao^a ; ^{jsblgao@163.com} ; San-Huang Ke^b ; ^{shke@tongji.edu.cn} ; Guang Song^a ; ^c ; Jun Zhang^a ; Lei Zhou^a ; Guan-Nan Li^a ; Feng Liang^a ; Yanzong Wang^a ; Chun Dang^a

关键词：WSe2 nanotubes ; Nanotube helicity ; Band-gap modulation ; Electronic structure

刊名：Journal of Alloys and Compounds

出版年：2017

3.Electronic and optical properties of cubic SrHfO₃ at different pressures: A first principles study

作者：D.P. Rai^a ; ^{dibyaprakashrai@gmail.com} ; Sandeep^b ; A. Shankar^c ; Anup Pradhan Sakhya^d ; T.P. Sinha^d ; B. Merabet^e ; M. Musa Saad H.-E^f ; R. Khenata^g ; Arash Boochani^h ; Shahram Solaymaniⁱ ; R.K. Thapa^b

关键词：GGA ; Pressure ; Bond length ; Hybridization ; Energy band gap ; Dielectric

刊名：Materials Chemistry and Physics

出版年：2017

4.Two-dimensional As_1-xP_x binary compounds: Highly tunable electronic structure and optical properties

作者：Tao Hu^a ; Ben Xu^b ; Jisang Hong^c ; ^{hongj@pknu.ac.kr}

关键词：Phosphorene ; Arsenic ; Band gap ; Optical property

刊名：Current Applied Physics

出版年：2017

5.Synthesis of fluorinated benzotriazole (BTZ)- and benzodithiophene (BDT)-based low-bandgap conjugated polymers for solar cell applications

作者：Murali Krishna Pola^a ; Karunakara Moorthy Boopathi^b ; Harihara Padhy^a ; Putikam Raghunath^c ; Ashutosh Singh^a ; Ming-Chang Lin^c ; Chih-Wei Chu^b ; Hong-Cheu Lin^a ; ^{linhc@mail.nctu.edu.tw}

关键词：Fluorine-substituted benzotriazole ; Benzodithiophene ; Donor&ndash ; acceptor polymer ; Bulk heterojunction solar cell ; Low-bandgap polymer

刊名：Dyes and Pigments

出版年：2017

6.Computational investigations on band structure and optical properties of the BeSe_xTe_1-xalloys through the FP-LAPW approach

作者：K. Hadji^a ; A. Abdiche^b ; ^{abdiche_a@yahoo.fr} ; F. Soyalp^c ; S.Bin Omran^e ; R. Khenata^b ; ^{khenata_rabah@yahoo.fr}

关键词：(II&ndash ; VI) semiconductors ; Wide gap ; BeSexTe1-x ; Optical properties

刊名：Optik - International Journal for Light and Electron Optics

出版年：2017

7.Band offset engineering in C-functionalized boronitrene

作者：K.O. Obodo^a ; ^b ; ^{obodoko@unisa.ac.za} ; N. Chetty^b ; ^c ; J.T. Obodo^d ; ^{joshua.obodo@unn.edu.ng}

关键词：Boronitrene ; Strain ; Electronic properties ; Zigzag short boronitrene

刊名：Computational Materials Science

出版年：2017

8.Sizable band gap in organometallic topological insulator

作者：V. Derakhshan ; ^{riemann.derakhshan@gmail.com} ; S.A. Ketabi

关键词：Spin&ndash ; orbit interaction ; Organometallic lattice ; Topological insulator ; Edge states ; Density functional theory

刊名：Physica E: Low-dimensional Systems and Nanostructures

出版年：2017

9.Electronic theoretical study of the influences of O adsorption on the electronic structure and optical properties of graphene

作者：Zhou Shuang ; Liu Guili ; ^{LGL63@sina.cn} ; Fan Dazhi

关键词：Graphene ; Coverage ; Electronic structure ; Optical properties ; Adsorption ; Density functional theory

刊名：Physica B: Condensed Matter

出版年：2017

10.Structural stability, electronic and thermodynamic properties of VOPO₄ polymorphs from DFT+U calculations

作者：Wei Sun ; Jincheng Du ; ^{jincheng.du@unt.edu" class="auth_mail" title="E-mail the corresponding author}

关键词：DFT+U ; VOPO4 ; Polymorphs ; Electronic structure ; Thermodynamic stability

刊名：Computational Materials Science

出版年：2017

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