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1

Tuning electronic and optical properties of CsPbI3 by applying strain: a first-principles theoretical study

Jing, Huijuan, Sa, Rongjian, Xu, Ge

Journal:

Chemical Physics Letters

Year:

2019

Language:

english

File:

PDF, 927 KB

english, 2019

2

Structure, elastic and piezoelectric properties of A3BO7 (A=Ga, Al; B=P, As) compounds: A DFT study

Ren, Jing, Ma, Zuju, He, Chao, Sa, Rongjian, Li, Qiaohong, Wu, Kechen

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 369 KB

english, 2015

3

Size-dependence of stability and optical properties of lead sulfide clusters

Jiangang He, Caiping Liu, Fujun Li, Rongjian Sa, Kechen Wu

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 1.16 MB

english, 2008

4

Nitroguanidine-Fused Bicyclic Guanidinium Salts: A Family of High-Density Energetic Materials

Ruihu Wang, Yong Guo, Rongjian Sa, Jean'ne M. Shreeve

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 460 KB

english, 2010

5

Ionic Liquid‐Modified Click‐Based Porous Organic Polymers for Controlling Capture and Catalytic Conversion of CO2

Wang, Ruihu, Cui, Caiyan, Sa, Rongjian, Hong, Zixiao, Zhong, Hong

Journal:

Year:

2019

Language:

english

File:

PDF, 1.30 MB

english, 2019

6

A Covalent Organic Framework Bearing Single Ni Sites as a Synergistic Photocatalyst for Selective Photoreduction of CO2 to CO

Zhong, Wanfu, Sa, Rongjian, Li, Liuyi, He, Yajun, Li, Lingyun, Bi, Jinhong, Zhuang, Zanyong, Yu, Yan, Zou, Zhigang

Journal:

Journal of the American Chemical Society

Year:

2019

Language:

english

File:

PDF, 596 KB

english, 2019

7

Closed loops theory on the third-order nonlinear optical property of α - and β - isomers of [M 8 O 26 ] 4− : a TDDFT study

Li, Fujun, Hu, Xiaojun, Sa, Rongjian

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 362 KB

english, 2013

8

A facile method for synthesis of N-doped TiO2 nanooctahedra, nanoparticles, and nanospheres and enhanced photocatalytic activity

Du, Jimin, Zhao, Guoyan, Shi, Yunfeng, HaoYang,, Li, Yaxiao, Zhu, Gaigai, Mao, Yanjun, Sa, Rongjian, Wang, Weiming

Journal:

Applied Surface Science

Year:

2013

Language:

english

File:

PDF, 1.74 MB

english, 2013

9

NLO Properties of Unidirectional Lengthening [Pt3(CO)3(μ2-CO)3]n2−Clusters: A TDDFT Study

Hu, Xiaojun, Li, Fujun, Sa, Rongjian, Feng, Jing

Journal:

Journal of Cluster Science

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

10

Theoretical studies of nonlinear optical crystals in metal cluster compounds

Kechen Wu, Xihua Chen, Jaap G. Snijders, Rongjian Sa, Chensheng Lin, Botao Zhuang

Journal:

Journal of Crystal Growth

Year:

2002

Language:

english

File:

PDF, 125 KB

english, 2002

11

Exploring Second-Order Nonlinear Optical Properties and Switching Ability of a Series of Dithienylethene-Containing, Cyclometalated Platinum Complexes: A Theoretical Investigation

Lin, Jian, Sa, Rongjian, Zhang, Mingxing, Wu, Kechen

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

12

A first-principle study of the structural, mechanical, electronic and optical properties of vacancy-ordered double perovskite Cs2TeX6 (X = Cl, Br, I)

Sa, Rongjian, Wei, Yingcong, Zha, Wenying, Liu, Diwen

Journal:

Chemical Physics Letters

Year:

2020

File:

PDF, 1.18 MB

2020

13

Carbon Dioxide Conversion Upgraded by Hostâguest Cooperation between NitrogenâRich Covalent Organic Framework and ImidazoliumâBased Ionic Polymer

Zhong, Hong, Gao, Jinwei, Sa, Rongjian, Yang, Shuailong, Wu, Zhicheng, Wang, Ruihu

Journal:

Year:

2020

File:

PDF, 603 KB

2020

14

The effect of ligands on the first hyperpolarizabilities of rich d electron molecular system: iridium clusters, a TDDFT study

Li, Fujun, Sa, Rongjian, Wu, Kechen

Journal:

Molecular Physics

Year:

2008

Language:

english

File:

PDF, 1.23 MB

english, 2008

15

Molecular orbital closed loops analysis of the third-order NLO response of polyanion [M8O26]4−(M

Li, Fujun, Hu, Xiaojun, Sa, Rongjian, Niu, Libin

Journal:

Structural Chemistry

Year:

2014

Language:

english

File:

PDF, 1.02 MB

english, 2014

16

Highly stable and sensitive LnMOF ratiometric thermometers constructed with mixed ligands

Wei, Yongqin, Sa, Rongjian, Li, Qiaohong, Wu, Kechen

Journal:

Dalton Transactions

Year:

2015

Language:

english

File:

PDF, 2.38 MB

english, 2015

17

Second-order nonlinear optical switch with the record-high contrast for a photochromic and thermochromic bistable crystal

Xing, Xiu-Shuang, Sa, Rongjian, Li, Pei-Xin, Zhang, Ning-Ning, Zhou, Zhong-Yuan, Liu, Bin-Wen, Liu, Jie, Wang, Ming-Sheng, Guo, Guo-Cong

Journal:

Chemical Science

Year:

2017

Language:

english

File:

PDF, 1.20 MB

english, 2017

18

Dipole polarizabilities of trimetallic nitride endohedral fullerenes M3N@C2n (M = Sc and Y; 2n = 68–98)

Jiangang He, Kechen Wu, Rongjian Sa, Qiaohong Li, Yongqin Wei

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 343 KB

english, 2009

19

Breaking the limitation of sodium-ion storage for nanostructured carbon anode by engineering desolvation barrier with neat electrolytes

Zhen, Yichao, Sa, Rongjian, Zhou, Kaiqiang, Ding, Lingyi, Chen, Yang, Mathur, Sanjay, Hong, Zhensheng

Journal:

Year:

2020

File:

PDF, 2.94 MB

2020

20

Theoretical studies on the bonding of Cd2+ to adenine and thymine: Tautomeric equilibrium and metalation in base pairing

Yan Wu, Rongjian Sa, Qiaohong Li, Yongqin Wei, Kechen Wu

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 377 KB

english, 2009

21

Mononuclear, trinuclear, and hetero-trinuclear supramolecular complexes containing a new tri-sulfonate ligand and cobalt(II)/copper(II)-(1,10-phenanthroline)2 building blocks

Yunfang Yu, Yongqin Wei, Ria Broer, Rongjian Sa, Kechen Wu

Journal:

Journal of Solid State Chemistry

Year:

2008

Language:

english

File:

PDF, 2.17 MB

english, 2008

22

Substituting effect on first hyperpolarizability of R-terminated polysilaacetylene oligomers

Rongbao Liao, Caiping Liu, Rongjian Sa, Kechen Wu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 562 KB

english, 2007

23

A topological pattern for understanding the structures of boranes and borane analog compounds

Liao, Rongbao, Zhu, Yun, Li, Qiaohong, Sa, Rongjian

Journal:

Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 2.11 MB

english, 2015

24

Photo‐induced Chloride Atom Transfer Radical Addition and Aminocarbonylation Reactions

Pan, Hao, Ge, Huaqi, He, Rong, Huang, Weichao, Wang, Lele, Wei, Yingcong, Sa, Rongjian, Wang, Yan-Jie, Yuan, Rusheng

Journal:

Asian Journal of Organic Chemistry

Year:

2019

Language:

english

File:

PDF, 1.54 MB

english, 2019

25

Carbocation–π interaction with Car–Parrinello molecular dynamics: Ab initio molecular dynamics investigation of complex of methyl cation with benzene

Fei Zheng, Rongjian Sa, Jiagao Cheng, Hualiang Jiang, Jianhua Shen

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 487 KB

english, 2007

26

Synergistic effect of doping and compositing on photocatalytic efficiency: a case study of La 2 Ti 2 O 7

Ma, Zuju, Li, Yangwen, Lv, Yaohui, Sa, Rongjian, Li, Qiaohong, Wu, Kechen

Journal:

ACS Applied Materials & Interfaces

Year:

2018

Language:

english

File:

PDF, 1.18 MB

english, 2018

27

Photoresponsive Triazole-Based Donor–Acceptor Molecules: Color Change and Heat/Air-Stable Diradicals

Zhang, Ning-Ning, Sa, Rongjian, Sun, Shanshan, Li, Ming-De, Wang, Ming-Sheng, Guo, Guo-Cong

Journal:

Journal of Materials Chemistry C

Year:

2019

File:

PDF, 1.11 MB

2019

28

Indirect-to-direct band gap transition and optical properties of metal alloys of Cs 2 Te 1âx Ti x I 6 : a theoretical study

Liu, Diwen, Zha, Wenying, Yuan, Rusheng, Lou, Benyong, Sa, Rongjian

Journal:

Year:

2020

File:

PDF, 1.05 MB

2020

29

Bis[3-(5-nitroimino-1,2,4-triazolate)]-Based Energetic Salts: Synthesis and Promising Properties of a New Family of High-Density Insensitive Materials

Wang, Ruihu, Xu, Hongyan, Guo, Yong, Sa, Rongjian, Shreeve, Jean’ne M.

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 121 KB

english, 2010

30

Experimental and theoretical study for CO 2 activation and chemical fixation with epoxides

Gao, Jinwei, Li, Liuyi, Cui, Caiyan, Ziaee, Muhammad Asad, Gong, Yaqiong, Sa, Rongjian, Zhong, Hong

Journal:

Year:

2019

File:

PDF, 644 KB

2019

31

The effect of organic cation doping on the stability and optoelectronic properties of Î±-CsPbI3

Sa, Rongjian, Ma, Zuju, Wang, Jiong, Liu, Diwen

Journal:

Journal of Solid State Chemistry

Year:

2020

File:

PDF, 1.11 MB

2020

32

Enhancing hydrogen evolution of MoS2 basal planes by combining single-boron catalyst and compressive strain

Cui, Zhitao, Du, Wei, Xiao, Chengwei, Li, Qiaohong, Sa, Rongjian, Sun, Chenghua, Ma, Zuju

Journal:

Frontiers of Physics

Year:

2020

File:

PDF, 2.57 MB

2020

33

Accelerated design of photovoltaic RuddlesdenâPopper perovskite Ca 6 Sn 4 S 14â x O x using machine learning

Hu, Junjie, Wang, Chenxi, Li, Qianhong, Sa, Rongjian, Gao, Peng

Journal:

Year:

2020

File:

PDF, 5.55 MB

2020

34

Two cobalt(II) coordination polymers [Co2(H2O)4(Hbidc)2]n and [Co(Hbidc)]n (Hbidc = 1H-benzimidazole-5,6-dicarboxylate): syntheses, crystal structures, and magnetic properties

Wei, Yongqin, Yu, Yunfang, Sa, Rongjian, Li, Qiaohong, Wu, Kechen

Journal:

Year:

2009

Language:

english

File:

PDF, 3.73 MB

english, 2009

35

Novel Salt Cocrystal of Chrysin with Berberine: Preparation, Characterization, and Oral Bioavailability

Sa, Rongjian, Zhang, Yanjie, Deng, Yanping, Huang, Yali, Zhang, Mei, Lou, Benyong

Journal:

Crystal Growth & Design

Year:

2018

Language:

english

File:

PDF, 1.46 MB

english, 2018

36

Thermochromic Behavior of Azobenzene‐based Coordination Polymer with Reversible Breathing Process

Chen, Weijun, Lu, Wenxiu, Xie, Jieling, Song, Lijun, Sa, Rongjian, Song, Jun‐Ling

Journal:

ChemistrySelect

Year:

2019

Language:

english

File:

PDF, 1.31 MB

english, 2019

37

Electronic and Optical Properties of Organic–Inorganic MASn1−xGexI3 Perovskites: A First-Principles Study

Liu, Diwen, Sa, Rongjian, Wang, Jian, Wu, Kechen

Journal:

Journal of Cluster Science

Year:

2019

Language:

english

File:

PDF, 1.21 MB

english, 2019

38

Direct Metal−Metal Interaction Contributions to Quadratic Hyperpolarizability: A Study on Dirhenium Complexes

Li, Qiaohong, Sa, Rongjian, Wei, Yongqin, Wu, Kechen

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 835 KB

english, 2008

39

Doping and temperature dependence of thermoelectric properties of AgGaTe2: First principles investigations

Wentao Wu, Kechen Wu, Zuju Ma, Rongjian Sa

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 579 KB

english, 2012

40

Magnetic properties of nonmetal atoms absorbed MoS[sub 2] monolayers

He, Jiangang, Wu, Kechen, Sa, Rongjian, Li, Qiaohong, Wei, Yongqin

Journal:

Applied Physics Letters

Year:

2010

Language:

english

File:

PDF, 654 KB

english, 2010

41

Photovoltaic Performance of Lead-Less Hybrid Perovskites From Theoretical Study

Liu, Diwen, Li, Qiaohong, Hu, Jinyu, Sa, Rongjian, Wu, Kechen

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 5.64 MB

english, 2019

42

Mixed-Cation Mixed-Metal Halide Perovskites for Photovoltaic Applications: A Theoretical Study

Sa, Rongjian, Liu, Diwen, Chen, Yiting, Ying, Shaoming

Journal:

Year:

2020

File:

PDF, 1.69 MB

2020

43

Theoretical study of Zr doping on the stability, mechanical, electronic and optical properties of Cs2TiI6

Liu, Diwen, Sa, Rongjian

Journal:

Optical Materials

Year:

2020

File:

PDF, 5.27 MB

2020

44

Micranthanone A, a New Diterpene with an Unprecedented Carbon Skeleton from Rhododendron micranthum

Zhang, Mengke, Zhu, Yan, Zhan, Guanqun, Shu, Penghua, Sa, Rongjian, Lei, Liang, Xiang, Ming, Xue, Yongbo, Luo, Zengwei, Wan, Qian, Yao, Guangmin, Zhang, Yonghui

Journal:

Organic Letters

Year:

2013

Language:

english

File:

PDF, 657 KB

english, 2013

45

Mechanism of enhanced photocatalytic activities on N-doped La2Ti2O7: An insight from density-functional calculations

Ma, Zuju, Wu, Kechen, Sa, Rongjian, Li, Qiaohong, He, Chao, Yi, Zhiguo

Journal:

International Journal of Hydrogen Energy

Year:

2015

Language:

english

File:

PDF, 2.22 MB

english, 2015

46

A comprehensive understanding of water photooxidation on Ag 3 PO 4 surfaces

Ma, Zuju, Lin, Sen, Sa, Rongjian, Li, Qiaohong, Wu, Kechen

Journal:

Year:

2017

Language:

english

File:

PDF, 2.10 MB

english, 2017

47

Insight into the Improved Phase Stability of CsPbI 3 from First-Principles Calculations

Liu, Diwen, Zha, Wenying, Guo, Yongmei, Sa, Rongjian

Journal:

Year:

2019

File:

PDF, 1.25 MB

2019

48

First-principles study of the structural stability, electronic and optical properties of CH3-F NH3GeI3 (xÂ =Â 0, 1, 2, 3) halide perovskites

Liu, Diwen, Guo, Shihui, Zheng, Qin, Sa, Rongjian

Journal:

Chemical Physics Letters

Year:

2020

File:

PDF, 2.06 MB

2020

49

Second-order nonlinear optical properties of transition metal clusters [MoS4Cu4X2Py2] (M = Mo, W; X = Br, I)

Li, Qiaohong, Wu, Kechen, Wei, Yongqin, Sa, Rongjian, Cui, Yiping, Lu, Canggui, Zhu, Jing, He, Jiangang

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.22 MB

english, 2009

50

Diterpenoids with Immunosuppressive Activities from Cinnamomum cassia

Zeng, Junfen, Xue, Yongbo, Shu, Penghua, Qian, Huiqin, Sa, Rongjian, Xiang, Ming, Li, Xiao-Nian, Luo, Zengwei, Yao, Guangmin, Zhang, Yonghui

Journal:

Journal of Natural Products

Year:

2014

Language:

english

File:

PDF, 435 KB

english, 2014

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