1

12.124

Thermal transport crossover from crystalline to partial-crystalline partial-liquid state

Yanguang Zhou, Shiyun Xiong, Xiaoliang Zhang, Sebastian Volz & Ming Hu

Nature Communications

2

11.994

Simultaneous Modulation of Magnetic and Dielectric Transition via Spin-Crossover-Tuned Spin Arrangement and Charge Distribution

Hui Zheng, Yin-ShanMeng, Guang-LiZhou, Chun-Ying Duan, OsamuSato, ShinyaHayami, Yi Luo and TaoLiu

Angewandte Chemie, International Edition

3

11.384

Mechanistic Understanding of Alloy Effect and Water Promotion for Pd-Cu Bimetallic Catalysts in CO₂Hydrogenation to Methanol

Xiaowa Nie, Xiao Jiang , Haozhi Wang, Wenjia Luo, Michael J. Janik, Yonggang Chen, Xinwen Guo, and Chunshan Song

ACS Catalysis

4

9.391

MBene (MnB): a new type of 2D metallic ferromagnet with high Curie temperature

Zhou Jiang, Peng Wang, Xue Jiang and Jijun Zhao

Nanoscale Horizons

5

8.097

A New Insight into the Anchoring Mechanism of Polysulfides inside Nanoporous Covalent Organic Frameworks for Lithium-Sulfur Batteries

Song, Xuedan; Zhang, Mengru; Yao, Man; Hao, Ce; Qiu, Jieshan

ACS Applied Materials & Interfaces

6

8.097

Screening and Design of Novel 2D Ferromagnetic Materials with High Curie Temperature above Room Temperature

Jiang, Zhou; Wang, Peng; Xing, Jianpei; Jiang, Xue; Zhao, Jijun

ACS Applied Materials & Interfaces

7

7.088

Exfoliation of graphite in CO₂expanded organic solvents combined with low speed shear mixing

Qin-Qin Xu, WeiZhao,Jia-Tao Zhi,Jian-Zhong Yin

Carbon

8

6.759

Origin of Pd-Cu bimetallic effect for synergetic promotion of methanol formation from CO₂ hydrogenation

Xiao Jiang, Xiaowa Nie, Xiaoxing Wang, Haozhi Wang, NaotoKoizumi, Yonggang Chen, Xinwen Guo, Chunshan Song

Journal of Catalysis

9

6.656

Effects of operating parameters and ionic liquid properties on fabrication of supported ionic liquid membranes based on mesoporous γ-Al₂O₃ supports

Yi-FanLiu, Qin-Qin Xu, Pei Cai, Meng-Yuan Zhen, Xin-Yao Wang, Jian-Zhong Yin

Journal of Membrane Science

10

6.653

Atmospheric Oxidation of Piperazine Initiated by ·Cl: Unexpected High Nitrosamine Yield

Fangfang Ma, Zhezheng Ding, Jonas Elm, Hong-Bin Xie, Qi Yu, Cong Liu, Chao Li, Zhiqiang Fu, Lili Zhang, and Jingwen Chen

Environmental Science & Technology

11

6.32

Acid-Promoted D‑A‑D Type Far-Red Fluorescent Probe with High Photostability for Lysosomal Nitric Oxide Imaging

Fengyang Wang, Shujuan Yu, Zhiai Xu, Lingling Li, Yijing Dang, Xiaowei Xu, Yi Luo, Zhen Cheng, Haijun Yu, Wen Zhang, Ao Zhang, and Chunyong Ding

Analytical Chemistry

12

5.123

Chiral Phosphoric Acid Catalyzed Enantioselective Friedel‐Crafts Reaction of N‐Protected 4‐Aminoindoles with β,γ‐Unsaturated α‐Ketimino Esters

Yu-Yang Ding, Deng-Feng Xu, Shan-Shui Meng, Yang Li, Jun-Ling Zhao

Advanced Synthesis & Catalysis

13

4.099

Bis(oxazoline)-derived N-heterocyclic carbene ligated rare-earth metal complexes: synthesis, structure, and polymerization performance

Yu Pan, Aijing Zhao, Yang Li, Wenqiang Li, Yat-Ming So, Xiaoming Yan and Gaohong He

Dalton Transactions

14

4.072

Enhancing enzymatic hydrolysis of corn cob, corn stover and sorghum stalk by dilute aqueous ammonia combined with ultrasonic pretreatment

Qin-Qin Xu, Meng-Jiao Zhao, Zhen-Zi Yu, Jian-Zhong Yin, Guo-Min Li, Meng-Yuan Zhen, Qiao-Zhi Zhang

Industrial Crops And Products

15

3.259

Theoretical and Experimental Studies of the Prevention Mechanism of Organic Inhibitors on Silver Anti-Tarnish

Anmin Liu, Xuefeng Ren, Qiyue Yang, Joshua Sokolowski, Jing Guo, Yanqiang Li, Liguo Gao, Maozhong An and Gang Wu

Journal of the Electrochemical Society

16

3.001

Preparation of supported ionic liquid membranes using supercritical fluid deposition based on γ-alumina membrane and imidazolium ionic liquids

Yi-Fan Liu, Qin-Qin Xu, Yu-Qing Wang, Meng-Yuan Zhen, Jian-Zhong Yin

Journal of Supercritical Fluids

1

7.367

Heterostructures of MXenes and N-doped graphene as highly active bifunctional electrocatalysts

Si Zhou, Xiaowei Yang, Wei Pei, Nanshu Liu and Jijun Zhao

Nanoscale

2

6.377

N-doped graphitic carbon materials hybridized with transition metals (compounds) for hydrogen evolution reaction: Understanding the synergistic effect from atomistic level

Wei Pei, Si Zhou, Yizhen Bai, Jijun Zhao

Carbon

3

6.337

Substrate effects on the thermal performance of in-plane graphene/hexagonal boron nitride heterostructures

Ting Li, Zhenan Tang, Zhengxing Huang, Jun Yu

Carbon

4

6.337

New metallic carbon: Three dimensionally carbon allotropes comprising ultrathin diamond nanostripes

Liu, Yinqiao ; Jiang, Xue ; Fu, Jie ; Zhao, Jijun

Carbon

5

6.337

Unexpected Anisotropy of (14,14,14)-Graphyne_A Comprehensive Study on the Thermal Transport Properties of Graphyne Based Nanomaterials

Yinqiao Liua, Xue Jiang, Jie Fu, Jijun Zhao

Carbon

6

5.503

DFT insight into the support effect on the adsorption and activation of key species over Co catalysts for CO₂methanation

Xiaowa Nie, Haozhi Wang, Wenhui Li, Yonggang Chen, Xinwen Guo, Chunshan Song

Journal of CO₂ Utilization

7

5.503

Facet effect on CO₂adsorption, dissociation and hydrogenation over Fe catalysts: Insight from DFT3

Haozhi Wang, Xiaowa Nie, Yonggang Chen, Xinwen Guo, Chunshan Song

Journal of CO₂ Utilization

8

5.256

Constructing a donor–acceptor linear-conjugation structure for heterologous perylene diimides to greatly improve the photovoltaic performance

Helin Wang, Lingcheng Chen, Yi Xiao

Journal of Materials Chemistry C

9

5.256

Selecting electrode materials for monolayer ReS₂with an Ohmic contact

Nan Gao, Si Zhou, Nanshu Liu, Yizhen Bai and Jijun Zhao

Journal of Materials Chemistry C

10

4.849

Visible Light Induced Aerobic Epoxidation ofα,β-Unsaturated Keton Mediated by Amidines

Yufeng Wu, Guangli Zhou, Qingwei Meng, Xiaofei Tang, Guangzhi Liu, Hang Yin, Jingnan Zhao, Fan Yang, Zongyi Yu, Yi Luo

Journal of Organic Chemistry

11

4.6

Quantum chemical simulations revealed the toxicokinetic mechanisms of organic phosphorus flame retardants catalyzed by P450 enzymes

Zhiqiang Fu, Jingwen Chen, Yong Wang, Huixiao Hong & Hongbin Xie

Journal of Environmental Science and Health, Part C

12

4.536

Oxygen evolution reaction on pristine and oxidized TiC (100) surface in Li-O₂ battery

Yingying Yang, Xiaowan Xue, Yuan Qin, Xudong Wang, Man Yao, Zhenhai Qin, and Hao Huang

The Journal of Physical Chemistry C

13

4.536

Intrinsic properties affecting the catalytic activity of 3d transition-metal carbides in Li-O₂battery

Yingying Yang, Yuan Qin, Xiaowan Xue, Xudong Wang, Man Yao, and Hao Huang

The Journal of Physical Chemistry C

14

4.536

Mapping Al Distributions in SSZ-13 Zeolites from²³Na Solid-State NMR Spectroscopy and DFT Calculations

Zhenchao Zhao, Youdong Xing, Shihan Li, Xiangju Meng, Feng-shou Xiao , Robert McGuire, Andrei-Nicolae Parvulescu, Ulrich Müller, and Weiping Zhang

Journal of Physical Chemistry C

15

4.536

Extremely Low Thermal Conductivity of Polycrystalline Silicene

Yufei Gao, Yanguang Zhou, Xiaoliang Zhang, and Ming Hu

The Journal of Physical Chemistry C

16

4.484

Adsorption, Dissociation, and Spillover of Hydrogen over Au/TiO₂Catalysts: The Effects of Cluster Size and Metal–Support Interaction from DFT

Wenjia Wan, Xiaowa Nie, Michael J. Janik , Chunshan Song , and Xinwen Guo

Journal of Physical Chemistry C

17

4.259

In-situ Cutting of Graphene into Short Nanoribbons with Applications to Ni-Zn Batteries

Chao Cui, Mingqiang Li & Xiaoliang Zhang

Scientific Reports

18

4.208

A molecular-scale study on the hydration of sulfuric acid-amide complexes and the atmospheric implication

Pu Ge, Gen Luo, Yi Luo, Wei Huang, Hongbin Xie, Jingwen Chen

Chemosphere

19

4.208

Molecular Understanding of the Interaction of Amino Acids with Sulfuric Acid in the Presence of Water and the Atmospheric Implication

Pu Ge, Gen Luo, Yi Luo, Wei Huang, Hongbin Xie, Jingwen Chen, Jingping Qu

Chemosphere

20

4.208

Photolysis Mechanism of Sulfonamide Moiety in Five-membered Sulfonamides: A DFT Study

Pu Ge, Hang Yu, Jingwen Chen, Jingping Qu, Yi Luo

Chemosphere

21

4.123

First-principles study of rocksalt early transition-metal carbides as potential catalysts for Li-O₂batteries

Yingying Yang, Yuelin Wang, Man Yao, Xudong Wang and Hao Huang

Physical Chemistry Chemical Physics

22

4.123

Pressure Tuning of the Thermal Conductivity of Gallium Arsenide from First-principles Calculations

Zhehao Sun, Kunpeng Yuan, Xiaoliang Zhang and Dawei Tang

Physical Chemistry Chemical Physics

23

4.123

Tuning Schottky barriers for monolayer GaSe FETs by exploiting a weak Fermi level pinning effect

Nanshu Liu, Si Zhou, Nan Gaoa and Jijun Zhao

Physical Chemistry Chemical Physics

24

4.123

MXene nanoribbons as electrocatalysts for the hydrogen evolution reaction with fast kinetics

Xiaowei Yang , Nan Gao , Si Zhou and Jijun Zhao

Physical Chemistry Chemical Physics

25

4.029

Effects of Nucleophilic Ligands on the Chain Initiation Efficiency of Polar Monomer Polymerizations Catalyzed by 2-Methoxyethylaminobis(phenolate)yttrium Complexes: A DFT Study

Jimin Yang, Yang Yu, Jingping Qu and Yi Luo

Dalton Transactions

26

3.906

DFT insight into the effect of potassium on the adsorption, activation and dissociation of CO₂ over Fe-based catalysts

Xiaowa Nie, Linlin Meng, Haozhi Wang, Yonggang Chen,c Xinwen Guo and Chunshan Song

Physical Chemistry Chemical Physics

27

3.862

Theoretical Mechanistic Studies on Redox-Switchable Polymeriza-tion of Trimethylene Carbonate Catalyzed by an Indium Complex Bearing a Ferrocene-Based Ligand

Xiaowei Xu, Gen Luo, Andleeb Mehmood, Yanan Zhao, Guangli Zhou, Zhaomin Hou, Yi Luo

Organometallics

28

3.862

DFT Studies on the Polymerization of Functionalized Styrenes Catalyzed by Rare-Earth-Metal Complexes: Factors Affecting C–H Activation Relevant to Step-Growth Polymerization

Yanan Zhao, Gen Luo, Xingbao Wang, Xiaohui Kang, Dongmei Cui, Zhaomin Hou, and Yi Luo

Organometallics

29

3.862

Origin of Product Selectivity in Yttrium-Catalyzed Benzylic C–H Alkylations of Alkylpyridines with Olefins: A DFT Study

Guangli Zhou, Gen Luo, Xiaohui Kang, Zhaomin Hou, and Yi Luo

Organometallics

30

3.862

Effects of Ligand, Metal, and Solvation on the Structure and Stability of Contact Ion Pairs Relevant to Olefin Polymerization Catalyzed by Rare-Earth-Metal Complexes: A DFT Study

Xingbao Wang, Guangli Zhou, Bo Liu*, Yi Luo

Organometallics

31

3.862

Theoretical Investigations of Isoprene Polymerization Catalyzed by Cationic Half-Sandwich Scandium Complexes Bearing a Coordinative Side Arm

Guangli Zhou, Xiaohui Kang, Xingbao Wang, Zhaomin Hou, Yi Luo

Organometallics

32

3.458

Modeling and Computation of Jet Impingement Heat Transfer Using RANS Method with Special Emphasis on the Developed SST Turbulence Model

Huang, Huakun ; Sun, Tiezhi ; Zhang, Guiyong ; Sun, Lei ; Zong, Zhi

International Journal of Heat and Mass Transfer

33

3.44

Mechanics of the folding of a nanotube

Li, Ming ; Li, Hao ; Li, Fengwei ; Kang, Zhan ; Meng, Xianhong

Nanotechnology

34

3.411

Self-assembly 2D zinc-phthalocyanine heterojunction: An ideal platform for high efficiency solar cell

Jiang, Xue ; Jiang, Zhou ; Zhao, Jijun

Applied Physics Letter

35

3.411

2D lateral heterostructures of group-III monochalcogenide: Potential photovoltaic applications

Kai Cheng, Yu Guo, Nannan Han, Xue Jiang, Junfeng Zhang, Rajeev Ahuja, Yan Su, and Jijun Zhao

Applied Physics Letter

36

3.307

Toroidal Alfvén eigenmode triggered by trapped anisotropic energetic particles in a toroidal resistive plasma with free boundary

Yang, S.X. ; Hao, G.Z. ; Liu, Y.Q. ; Wang, Z.X. ; Hu, Y.J. ; Zhu, J.X. ; He, H.D. ; Wang, A.K.

Nuclear Fusion

37

3.307

Suppression of explosive bursts triggered by neo-classical tearing mode in reversed magnetic shear tokamak plasmas via ECCD

Tong Liu, Zheng-Xiong Wang, Jialei Wang and Lai Wei

Nuclear Fusion

38

3.307

A mechanism for the formation and sustainment of the self-organized global profile and E×B staircase in tokamak plasmas

W. Wang, Y. Kishimoto, K. Imadera, J.Q. Li and Z.X. Wang

Nuclear Fusion

39

2.965

Revisit the landscape of protonated water clusters H⁺(H₂O)_n with n = 10–17: An ab initio global search

Ruili Shi, Keyao Li, Yan Su, Lingli Tang, Xiaoming Huang, Linwei Sai, and Jijun Zhao

The Journal of Chemical Physics

40

2.76

A theoretical analysis on self-collapsing of nanotubes

MengXianhong ZhangBowen，LiHao，LiFengwei，KangZhan，LiMing，ChenYuli

International Journal of Solids and Structures

41

2.331

Solubility of Ionic Liquid [Bmim]Ac in Supercritical CO₂Containing Different Cosolvents

Gen Li, Dan Zhou, Qin-Qin Xu, Guo-Yue Qiao, and Jian-Zhong Yin

Journal of Chemical & Engineering Data