1

The role of regioisomerism on thermal stability of furoxan based energetic materials

吕美横，周潘旺，马银华，Li Wenze

JOURNAL OF MOLECULAR STRUCTURE

2022

132955

132955

2

Theoretical insights into the role of regiochemistry in thermal stability regulation of energetic materials

吕美横，Wang Ting，周潘旺，He Yongke，Li Wenze，刘建勇

CHEMICAL PHYSICS LETTERS

2022

139720

139720

3

New Insights into the Recognition and Sensing Mechanism of a H2S Fluorescent Probe A Theoretical Perspective

吕美横, Zhengbo Li, Cong Han, and Wenze Li*

JOURNAL OF PHYSICAL CHEMISTRY A

2022

126

2788

2793

4

Theoretical Perspective on the Sensing Mechanism of a Novel Fluorescent Probe for Nitramine Explosives The Role of Radical Reactions

吕美横, Cong Han, Lincheng Ji, Zhichao Zhang, Hongzhen Hua, Yongke He, and Wenze Li*

JOURNAL OF PHYSICAL CHEMISTRY A

2022

126

685

690

5

COSMO-RS prediction, liquid-liquid equilibrium experiment and quantum chemistry calculation for the separation of n-butanol and n nheptane

Zhang Youqi a, Zhang Qinqin a,⇑, Xin Hua a, 吕美横a,b, Zhang Zhigang a,⇑

JOURNAL OF CHEMICAL THERMODYNAMICS

2022

167

106719

106731

6

Structural prediction of anion thiolate protected gold clusters of [Au28+7n(SR)17+3n]− (n = 0

Endong Wang,1 丁俊霞,2 Wenhua Han,3 and Shixia Luan

JOURNAL OF CHEMICAL PHYSICS

2022

157

124303-1

124303-6

7

New structural insights into the stability of Au22(SR)16 nanocluster under ring model guidance

Wenhua Han,a 王恩栋*bc and Wen Wu Xu

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2022

24

15920

15924

8

Simulation of the inverse bremsstrahlung absorption by plasma plume in laser penetration welding

Yue Zhang a, Feng Wang a,*, 刘建勇b, Jizhong Sun a

CHEMICAL PHYSICS LETTERS

2022

793

139434

139440

9

Impact of regiochemistry on thermal stability of trifuroxan based energetic materials: A theoretical perspective

吕美横a,b, Cong Han a, Zhengbo Li a, Panwang Zhou c, Wenze Li a,*, 刘建勇

Computational and Theoretical Chemistry

2022

113686

113691

10

In silico design of dual-doped nitrogenated graphene (C2N) employed in electrocatalytic reduction of carbon monoxide to ethylene

Honglei Wang,‡a Guoqing Ren,‡a Yanliang Zhao,a Lanju Sun,a Jikai Sun,a Li Yang,aTie Yu,a 邓伟侨 ab and Lei Sun

Journal of Materials Chemistry A

2022

4703

4710

11

Nanocomposites based on lanthanide-doped upconversion nanoparticles diverse designs and applications

杜凯敏, Jing Feng1,3✉, Xuan Gao1,3 and Hongjie Zhang1,3,4

Light-Science & Applications

2022

11

871

893

12

Profiling Cystathionine β/γ-Lyase in Complex Biosamples Using Novel Activatable Fluorogens

贾燕，Yiying Wang,Yongli Zhang,Jiayue Wang,Yanxi Pei, Zhiqing Wang, 李鹏，韩克利

ANALYTICAL CHEMISTRY

2022

1203

1210

13

Identification of Trans- and Cis-2-Methylcyclopropanecarboxylic acid using EVV 2DIR spectroscopy: A theoretical study

龙风琴，Hua Xie，Wei Zhuang

CHEMICAL PHYSICS LETTERS

2022

139301

139301

14

Doped all-inorganic cesium zirconium halide perovskites with high-efficiency and tunable emission

程鹏飞,Daoyuan Zheng,冯璐,刘岳峰,刘俊学,李俊涛,杨阳,汪国雄,韩克利

Journal of Energy Chemistry

2022

600

604

15

Recent Advances in All-Inorganic Lead-Free Three-Dimensional Halide Double Perovskite Nanocrystals

Peigeng Han and 韩克利

ENERGY & FUELS

2021

35

18871

18887

16

Colloidal Synthesis and Tunable Multicolor Emission of Vacancy-Ordered Cs2HfCl6 Perovskite Nanocrystals

Siping Liu, 杨斌,* Junsheng Chen, Daoyuan Zheng, Zhe Tang, Weiqiao Deng,韩克利

Laser & Photonics Reviews

2022

16

2100439-1

2100439-9

17

The Second Excited Triplet State Facilitates TADF and Triplet Triplet Annihilation Photon Upconversion via a Thermally Activated Reverse Internal Conversion

Yanliang Zhao, Yingnan Wu, Wenlong Chen, Ruiling Zhang, Gaobo Hong, Jiarui Tian,Honglei Wang, Daoyuan Zheng, Chenyu Wu, Xiao Jiang, Xinming Huo, Lei Sun，邓伟侨, 韩克利, and Fengling Song*

Advanced Optical Materials

2022

10

2102275-1

2102275-8

18

Excitation-Dependent Emission in All-Inorganic Lead-Free Cs2ScCl5 center dot H2O Perovskite Crystals

Ruiling Zhang, Xin Xu, Xin Mao, Zhongyi Wang, Pengyuan Wang, 杨阳,Junsheng Chen, Ruifeng Lu, 邓伟侨, 韩克利

Laser & Photonics Reviews

2022

2100689-1

2100689-7

19

Lead-Free All-Inorganic Indium Chloride Perovskite Variant Nanocrystals for Efficient Luminescence

Peigeng Han, 周纬, Daoyuan Zheng, Xirui Zhang, Cheng Li, Qingkun Kong,羊送球, Ruifeng Lu,* and 韩克利

Advanced Optical Materials

2022

10

2101344-1

2101344-11

20

Electronic structure of chabazite zeolites H-SSZ-13 and H-SAPO-34

臧凯璐, Wenna Zhang c, Jindou Huang c丁俊霞Juanzhi Yan a

MICROPOROUS AND MESOPOROUS MATERIALS

2022

338

111957

111963

21

Ultrasensitive Optical Thermometry via Inhibiting the Energy Transfer in Zero-Dimensional Lead-Free Metal Halide Single Crystals

吴燕青，李俊涛，郑道元，夏栩笙，羊送球，杨阳，柏天新，王晓晨

Journal of Physical Chemistry Letters

2022

13

40

9255

9262

22

Organo-Metal Halide Scintillator with Weak Thermal Quenching Up to 200℃

吴燕青，陈俊生，郑道元，夏栩笙，羊送球，杨阳，陈佳欣，Tõnu Pullerits，韩克利

Journal of Physical Chemistry Letters

2022

13

25

5794

5800

23

Ambient hydrogenation of carbon dioxide into liquid fuel by a heterogeneous synergetic dual single-atom catalyst

Guoqing Ren,1,3 Jikai Sun,1,3 Shengliang Zhai,1 Li Yang,1 Tie Yu,1 Lei Sun,1,* and 邓伟侨

Cell Reports Physical Science

2022

3

1

15

24

The Second Excited Triplet-State Facilitates TADF and Triplet

Yanliang Zhao, Yingnan Wu, Wenlong Chen, Ruiling Zhang, Gaobo Hong, Jiarui Tian,Honglei Wang, Daoyuan Zheng, Chenyu Wu, Xiao Jiang, Xinming Huo, Lei Sun,*邓伟侨, 韩克利, and Fengling Song*

Advanced Optical Materials

2022

10

2012275-1

2012275-8

25

In silico design of metal-free hydrophosphate catalysts for hydrogenation of CO2 to formate†

Honglei Wang,‡a Yanliang Zhao,‡a Huixuan Zhao,a Junxia Yang,a Dong Zhai, aLei Sun *a and邓伟侨

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2022

24

2901

2908

26

First-principles study of CO2 hydrogenation to formic acid on single-atom catalysts supported on SiO2†

Jikai Sun,a Shuchao Jiang,a Yanliang Zhao,a Honglei Wang,a Dong Zhai, 邓伟侨 ab and Lei Sun *a

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2022

24

19938

19947

27

Umbrella sampling with machine learning potentials applied for solid phase transition of GeSbTe

Yanliang Zhao a, Jikai Sun a, Li Yang a, Dong Zhai a, Lei Sun a, 邓伟侨

CHEMICAL PHYSICS LETTERS

2022

803

139813

139818

28

Excess-Electron Attachment and Ionization of Aqueous Uridine Monophosphate Aniony

Yan Zhanga∗; Xuan-ning Chena; Shu-hui Yina; 羊送球

CHINESE JOURNAL OF CHEMICAL PHYSICS化学物理学报

2022

35

375

382

29

Regulation of excited-state intramolecular proton transfer process and photophysical properties for benzoxazole isothiocyanate fluorescent dyes by changing atomic electronegativity

张洪苓;刘青桐; 王艺颖; 唐

CHINESE JOURNAL OF CHEMICAL PHYSICS化学物理学报

2022

35

1

8

30

Spatiotemporal imaging of charge transfer in photocatalyst particles

陈若天,任泽峰, Yu Liang2,3, 张冠华, Thomas Dittrich4, Runze Liu5,Yang Liu5,赵越，庞山，安虹宇，倪晨玮， Panwang Zhou5,韩克利,范峰滔、李灿 ✉

NATURE

2022

610

296

319

31

Photo-induced carbon dioxide reduction on hexagonal tungsten oxide via an oxygen vacancies-involved process

王一, 刘润泽, 石明, Panwang Zhouc, 韩克利, 李灿, 李仁贵

CHINESE CHEMICAL LETTERS

2022

34

107200

107205

32

Filling Chlorine Vacancy with Bromine A Two-Step Hot-Injection Approach Achieving Defect-Free Hybrid Halogen Perovskite Nanocrystals

Xiaochen Wang, Tianxin Bai, Xuan Meng, Sujun Ji, Ruiling Zhang, Daoyuan Zheng, 杨斌,Junke Jiang, 韩克利,+ and Feng Liu

ACS Applied Materials & Interfaces

2022

14

46857

46865

33

Highly efficient emission in lead-free inorganic vacancy-ordered Sb-Bi-alloyed halide quadruple perovskites

Cheng Li a, 罗程,c, Wei Zhou d, Ruiling Zhang a, Daoyuan Zheng a, Peigeng Han a,*

CHEMICAL PHYSICS LETTERS

2022

795

139536

139541

34

Band-Gap and Dimensional Engineering in Lead-Free Inorganic Halide Double Perovskite Cs4Cu1-xAg2xSb2Cl12 Single Crystals and Nanocrystals

Wei Zhou1†, Peigeng Han2*†, 罗程4, Cheng Li 1, 侯杰,4, Yang Yu1* and Ruifeng Lu1*

Frontiers in Materials

2022

9

855950-1

855950-7

35

Germanium Halides Serving as Ideal Precursors Designing a More Effective and Less Toxic Route to High-Optoelectronic-Quality Metal Halide Perovskite Nanocrystals

Xiaochen Wang,# Tianxin Bai,# 杨斌, Ruiling Zhang, Daoyuan Zheng, Junke Jiang, Shuxia Tao,Feng Liu,* and 韩克利

NANO LETTERS

2022

22

636

643

36

Mechanistic Investigation on the Initial Thermal Decomposition of Energetic Materials FOX‑7 and RDX in the Crystal and Gas Phase An MMDFT-Based ONIOM Calculation

Yinhua Ma, Meiheng Lv, 尚方剑, Chaoyang Zhang, 刘建勇*, and Panwang Zhou*

JOURNAL OF PHYSICAL CHEMISTRY A

2022

126

1666

1673

37

Intermolecular hydrogen-bonding-induced fluorescence of 3-hydroxyisonicotinealdehyde in different pH media

刘青桐，唐

JOURNAL OF LUMINESCENCE

2022

247

118878

118883

38

Blocking the dark state as sensing mechanism of 3-nitro-1,8-naphthalimide derivatives for detection of carbon monoxide in the living cells

余艳 a,b, Bingxian Chu a, Zhe Tang c, Haixiang He a,**, Panwang Zhou

DYES AND PIGMENTS

2022

197

109905

109910

39

Finely tuning electronic and steric structures of spiro [fluorene-9,9′-xanthene] (SFX)-based emitters by isomerization strategy towards efficient electroluminescence

Bao-Yi Ren a, Xia Lan a, Yan-Mei Tan a, Gang Xiong a, Ya-Guang Sun a,*, Run-Da Guo b,**,吕美横a,c,***, Ling-Hai Xie d

DYES AND PIGMENTS

2022

198

110035

110042

40

Influence of nanoenvironment in reverse micelles on the fluorescence of flavins

Yan Liu a,*, 罗健, Meishan Wang a

JOURNAL OF LUMINESCENCE

2022

242

118567

118572

41

Theoretical study on the thermal dissociation of FOX-7 promoted by NO2

Qiong Zhu1,2 Panwang Zhou3 刘建勇Shuhui Yin1

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

2022

122

7

26864

26873

42

Bifunctional poly(ionic liquid) catalyst with dual-active-center for CO2 conversion: synergistic effect of triazine and imidazolium motifs

Xu Fang a, Chengcheng Liu a,*, Li Yang a, Tie Yu a, Dong Zhai a, Wenling Zhao a邓伟侨

Journal of CO2 Utilization

2021

54

101778

101787

43

Unblocked intramolecular charge transfer for enhanced CO2 photoreduction enabled by an imidazolium-based ionic conjugated microporous polymer

Wenling Zhao a, Dong Zhai a, Chengcheng Liu a,*, Daoyuan Zheng a, Hao Wu a, Lei Sun a,韩克利，邓伟侨

APPLIED CATALYSIS B-ENVIRONMENTAL

2022

300

120719

120728

44

Theoretical study on autocatalytic reaction in thermal decomposition

常鹏伟，周潘旺，刘建勇，YinShuhui

CHEMICAL PHYSICS LETTERS

2022

792

139413-1

139413-5