Unusually high electron density in an intermolecular non-bonding region: Role of metal substrate
- Corresponding author: Cheng Zhi-Hai, chengzh@nanoctr.cn Qiu Xiao-Hui, xhqiu@nanoctr.cn Ji Wei, wji@ruc.edu.cn
Citation: Wang Chen-Guang, Cheng Zhi-Hai, Qiu Xiao-Hui, Ji Wei. Unusually high electron density in an intermolecular non-bonding region: Role of metal substrate[J]. Chinese Chemical Letters, ;2017, 28(4): 759-764. doi: 10.1016/j.cclet.2016.08.004
J. D. Lee, Concise Inorganic Chemistry, John Wiley & Sons, New York, 2008.
Grochala W., Hoffmann R., Feng J., Ashcroft N.W.. The chemical imagination at work in very tight places[J]. Angew.Chem.Int.Ed., 2007,46:3620-3642. doi: 10.1002/(ISSN)1521-3773
Gross L., Mohn F., Moll N., Liljeroth P., Meyer G.. The chemical structure of a molecule resolved by atomic force microscopy[J]. Science, 2009,325:1110-1114. doi: 10.1126/science.1176210
Gross L., Mohn F., Moll N.. Bond-order discrimination by atomic force microscopy[J]. Science, 2012,337:1326-1329. doi: 10.1126/science.1225621
Emmrich M., Huber F., Pielmeier F.. Subatomic resolution force microscopy reveals internal structure and adsorption sites of small iron clusters[J]. Science, 2015,348:308-311. doi: 10.1126/science.aaa5329
Gross L., Mohn F., Moll N.. Organic structure determination using atomic-resolution scanning probe microscopy[J]. Nat.Chem., 2010,2:821-825. doi: 10.1038/nchem.765
de Oteyza D.G., Gorman P., Chen Y.C.. Direct imaging of covalent bond structure in single-molecule chemical reactions[J]. Science, 2013,340:1434-1437. doi: 10.1126/science.1238187
Welker J., Giessibl F.J.. Revealing the angular symmetry of chemical bonds by atomic force microscopy[J]. Science, 2012,336:444-449. doi: 10.1126/science.1219850
Zhang J., Chen P.C., Yuan B.K.. Real-space identification of intermolecular bonding with atomic force microscopy[J]. Science, 2013,342:611-614. doi: 10.1126/science.1242603
Hämäläinen S.K., van der Heijden N., van der Lit J.. Intermolecular contrast in atomic force microscopy images without intermolecular bonds[J]. Phys.Rev.Lett., 2014,113186102. doi: 10.1103/PhysRevLett.113.186102
Hapala P., Kichin G., Wagner C.. Mechanism of high-resolution stm/afm imaging with functionalized tips[J]. Phys.Rev.B, 2014,90085421. doi: 10.1103/PhysRevB.90.085421
Blöchl P.E.. Projector augmented-wave method[J]. Phys.Rev.B, 1994,50:17953-17979. doi: 10.1103/PhysRevB.50.17953
Kresse G., Joubert D.. From ultrasoft pseudopotentials to the projector augment-ed-wave method[J]. Phys.Rev.B, 1999,59:1758-1775.
Kresse G., Furthmüller J.. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set[J]. Comput.Mater.Sci., 1996,6:15-50. doi: 10.1016/0927-0256(96)00008-0
Kresse G., Furthmüller J.. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set[J]. Phys.Rev.B, 1996,54:11169-11186. doi: 10.1103/PhysRevB.54.11169
J. Klimeš, D. R. Bowler, A. Michaelides, Chemical accuracy for the van der Waals density functional, J. Phys. : Condens. Matter 22(2010)022201.
Hu Z.X., Lan H.P., Ji W.. Role of the dispersion force in modeling the interfacial properties of molecule-metal interfaces:adsorption of thiophene on copper surfaces[J]. Sci.Rep., 2014,45036.
Moll N., Gross L., Mohn F., Curioni A., Meyer G.. A simple model of molecular imaging with noncontact atomic force microscopy[J]. New J.Phys., 2012,14083023. doi: 10.1088/1367-2630/14/8/083023
G. A. Jeffrey, An Introduction to Hydrogen Bonding, Oxford University Press, New York, 1997.
Zhang J., Yuan B.K., Chen P.C.. Exceptionally stiff two-dimensional molecular crystal by substrate-confinement[J]. ACS Nano, 2014,8:11425-11431. doi: 10.1021/nn505969v
Pavliček N., Schuler B., Collazos S.. On-surface generation and imaging of arynes by atomic force microscopy[J]. Nat.Chem., 2015,7:623-628. doi: 10.1038/nchem.2300
Guo C.S., Van Hove M.A., Ren X.G., Zhao Y.. High-resolution model for noncontact atomic force microscopy with a flexible molecule on the tip apex[J]. J.Phys.Chem.C, 2015,119:1483-1488.
Gross L.. Recent advances in submolecular resolution with scanning probe microscopy[J]. Nat.Chem., 2011,3:273-278. doi: 10.1038/nchem.1008
W. D. Callister Jr. , D. G. Rethwisch, Materials Science and Engineering: An Introduction, Wiley, New York, 2007.
Gibbs G.V., Hill F.C., Boisen M.B., Downs R.T.. Power law relationships between bond length, bond strength and electron density distributions[J]. Phys.Chem.Miner., 1998,25:585-590. doi: 10.1007/s002690050151
Qiao J.S., Kong X.H., Hu Z.X., Yang F., Ji W.. High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus[J]. Nat.Commun., 2014,54475.
Zhao Y.D., Qiao J.S., Yu P.. Extraordinarily strong interlayer interaction in 2D layered Pts2[J]. Adv.Mater., 2016,28:2399-2407. doi: 10.1002/adma.v28.12
Yuxiang Zhang , Jia Zhao , Sen Lin . Nitrogen doping retrofits the coordination environment of copper single-atom catalysts for deep CO2 reduction. Chinese Journal of Structural Chemistry, 2024, 43(11): 100415-100415. doi: 10.1016/j.cjsc.2024.100415
Wei Chen , Pieter Cnudde . A minireview to ketene chemistry in zeolite catalysis. Chinese Journal of Structural Chemistry, 2024, 43(11): 100412-100412. doi: 10.1016/j.cjsc.2024.100412
Jiajun Wang , Guolin Yi , Shengling Guo , Jianing Wang , Shujuan Li , Ke Xu , Weiyi Wang , Shulai Lei . Computational design of bimetallic TM2@g-C9N4 electrocatalysts for enhanced CO reduction toward C2 products. Chinese Chemical Letters, 2024, 35(7): 109050-. doi: 10.1016/j.cclet.2023.109050
Fanjun Kong , Yixin Ge , Shi Tao , Zhengqiu Yuan , Chen Lu , Zhida Han , Lianghao Yu , Bin Qian . Engineering and understanding SnS0.5Se0.5@N/S/Se triple-doped carbon nanofibers for enhanced sodium-ion batteries. Chinese Chemical Letters, 2024, 35(4): 108552-. doi: 10.1016/j.cclet.2023.108552
Lingling Su , Qunyan Wu , Congzhi Wang , Jianhui Lan , Weiqun Shi . Theoretical design of polyazole based ligands for the separation of Am(Ⅲ)/Eu(Ⅲ). Chinese Chemical Letters, 2024, 35(8): 109402-. doi: 10.1016/j.cclet.2023.109402
Yu-Hang Li , Shuai Gao , Lu Zhang , Hanchun Chen , Chong-Chen Wang , Haodong Ji . Insights on selective Pb adsorption via O 2p orbit in UiO-66 containing rich-zirconium vacancies. Chinese Chemical Letters, 2024, 35(8): 109894-. doi: 10.1016/j.cclet.2024.109894
Xin-Tong Zhao , Jin-Zhi Guo , Wen-Liang Li , Jing-Ping Zhang , Xing-Long Wu . Two-dimensional conjugated coordination polymer monolayer as anode material for lithium-ion batteries: A DFT study. Chinese Chemical Letters, 2024, 35(6): 108715-. doi: 10.1016/j.cclet.2023.108715
Maitri Bhattacharjee , Rekha Boruah Smriti , R. N. Dutta Purkayastha , Waldemar Maniukiewicz , Shubhamoy Chowdhury , Debasish Maiti , Tamanna Akhtar . Synthesis, structural characterization, bio-activity, and density functional theory calculation on Cu(Ⅱ) complexes with hydrazone-based Schiff base ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1409-1422. doi: 10.11862/CJIC.20240007
Xiaochen Zhang , Fei Yu , Jie Ma . 多角度数理模拟在电容去离子中的前沿应用. Acta Physico-Chimica Sinica, 2024, 40(11): 2311026-. doi: 10.3866/PKU.WHXB202311026
Wengao Zeng , Yuchen Dong , Xiaoyuan Ye , Ziying Zhang , Tuo Zhang , Xiangjiu Guan , Liejin Guo . Crystalline carbon nitride with in-plane built-in electric field accelerates carrier separation for excellent photocatalytic hydrogen evolution. Chinese Chemical Letters, 2024, 35(4): 109252-. doi: 10.1016/j.cclet.2023.109252
Yun-Xin Huang , Lin-Qian Yu , Ke-Yu Chen , Hao Wang , Shou-Yan Zhao , Bao-Cheng Huang , Ren-Cun Jin . Biochar with self-doped N to activate peroxymonosulfate for bisphenol-A degradation via electron transfer mechanism: The active edge graphitic N site. Chinese Chemical Letters, 2024, 35(9): 109437-. doi: 10.1016/j.cclet.2023.109437
Jiajing Wu , Ru-Ling Tang , Sheng-Ping Guo . Three types of promising functional building units for designing metal halide nonlinear optical crystals. Chinese Journal of Structural Chemistry, 2024, 43(6): 100291-100291. doi: 10.1016/j.cjsc.2024.100291
Yuhang Li , Yang Ling , Yanhang Ma . Application of three-dimensional electron diffraction in structure determination of zeolites. Chinese Journal of Structural Chemistry, 2024, 43(4): 100237-100237. doi: 10.1016/j.cjsc.2024.100237
Fei Jin , Bolin Yang , Xuanpu Wang , Teng Li , Noritatsu Tsubaki , Zhiliang Jin . Facilitating efficient photocatalytic hydrogen evolution via enhanced carrier migration at MOF-on-MOF S-scheme heterojunction interfaces through a graphdiyne (CnH2n-2) electron transport layer. Chinese Journal of Structural Chemistry, 2023, 42(12): 100198-100198. doi: 10.1016/j.cjsc.2023.100198
Long TANG , Yaxin BIAN , Luyuan CHEN , Xiangyang HOU , Xiao WANG , Jijiang WANG . Syntheses, structures, and properties of three coordination polymers based on 5-ethylpyridine-2,3-dicarboxylic acid and N-containing ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1975-1985. doi: 10.11862/CJIC.20240180
Chao Ma , Peng Guo , Zhongmin Liu . DNL-16: A new zeolitic layered silicate unraveled by three-dimensional electron diffraction. Chinese Journal of Structural Chemistry, 2024, 43(4): 100235-100235. doi: 10.1016/j.cjsc.2024.100235
Huan Hu , Ying Zhang , Shi-Shuang Huang , Zhi-Gang Li , Yungui Liu , Rui Feng , Wei Li . Temperature- and pressure-responsive photoluminescence in a 1D hybrid lead halide. Chinese Journal of Structural Chemistry, 2024, 43(10): 100395-100395. doi: 10.1016/j.cjsc.2024.100395
Zhijia Zhang , Shihao Sun , Yuefang Chen , Yanhao Wei , Mengmeng Zhang , Chunsheng Li , Yan Sun , Shaofei Zhang , Yong Jiang . Epitaxial growth of Cu2-xSe on Cu (220) crystal plane as high property anode for sodium storage. Chinese Chemical Letters, 2024, 35(7): 108922-. doi: 10.1016/j.cclet.2023.108922
Jiayuan Liang , Xin Mi , Songhao Guo , Hui Luo , Kejun Bu , Tonghuan Fu , Menglin Duan , Yang Wang , Qingyang Hu , Rengen Xiong , Peng Qin , Fuqiang Huang , Xujie Lü . Pressure-induced emission in 0D metal halide (EATMP)SbBr5 by regulating exciton-phonon coupling. Chinese Journal of Structural Chemistry, 2024, 43(7): 100333-100333. doi: 10.1016/j.cjsc.2024.100333
Yunfei Shen , Long Chen . Gradient imprinted Zn metal anodes assist dendrites-free at high current density/capacity. Chinese Journal of Structural Chemistry, 2024, 43(10): 100321-100321. doi: 10.1016/j.cjsc.2024.100321