Si‐Dian Li

发表

A steel slag–derived Boudouard reaction catalyst for improved performance of direct carbon solid oxide fuel cells

Wei Wang, Guangming Yang, W. Zhou, 2019, International Journal of Energy Research.

Jun Li, Zhi-Pan Liu, Qiang Chen, 2014, Nature chemistry.

Structurally modified coal char as a fuel for solid oxide-based carbon fuel cells with improved performance

Zongping Shao, Yujing Sha, Guangming Yang, 2015 .

Significant performance enhancement of yttrium-doped barium cerate proton conductor as electrolyte for solid oxide fuel cells through a Pd ingress–egress approach

Zongping Shao, M. Tadé, R. Ran, 2014 .

Direct power generation from low concentration coal-bed gas by a catalyst-modified solid oxide fuel cell

Zongping Shao, Wei Zhou, Guangming Yang, 2018 .

K(CO)8− and Rb(CO)8−: Cube-Like Alkali Octacarbonyls Satisfying the 18-Electron Rule

Yan-Bo Wu, Si‐Dian Li, Haigang Lu, 2019, Journal of Cluster Science.

Triple‐Decker Transition‐Metal Complexes (CnHn)M(B6C)M(CnHn) (M = Fe, Ru, Mn, Re; n = 5, 6) Containing Planar Hexacoordinate Carbon Atoms

Si‐Dian Li, Jin-Chang Guo, Chang-Qing Miao, 2006 .

Which Density Functional Should Be Used to Describe Protonated Water Clusters?

Jijun Zhao, Ruili Shi, Xiaoming Huang, 2017, The journal of physical chemistry. A.

Photoelectron spectroscopy of aromatic compound clusters of the B12 all-boron benzene: B12Au- and B12(BO)-.

Lai‐Sheng Wang, Hua‐Jin Zhai, Hui Bai, 2013, Physical chemistry chemical physics : PCCP.

A universal mechanism of the planar boron rotors B11-, B13+, B15+, and B19-: inner wheels rotating in pseudo-rotating outer bearings.

Hua‐Jin Zhai, Si‐Dian Li, D. Jia, 2017, Nanoscale.

Probing the structures and bonding of size-selected boron and doped-boron clusters.

Lai‐Sheng Wang, Jun Li, Si‐Dian Li, 2019, Chemical Society reviews.

Saturn-like charge-transfer complexes Li₄&B₃₆, Li₅&B₃₆⁺, and Li₆&B₃₆²⁺: exohedral metalloborospherenes with a perfect cage-like B₃₆⁴⁻ core.

Hua‐Jin Zhai, Si‐Dian Li, Qiang Chen, 2016, Physical chemistry chemical physics : PCCP.

Photoelectron spectroscopy of lithium and gold alloyed boron oxide clusters: charge transfer complexes, covalent gold, hyperhalogen, and dual three-center four-electron hyperbonds.

Hua‐Jin Zhai, Si‐Dian Li, Hongguang Xu, 2014, Physical chemistry chemical physics : PCCP.

Anodes for Carbon‐Fueled Solid Oxide Fuel Cells

Zongping Shao, W. Zhou, Yong Jiao, 2016 .

A confinement strategy to prepare N-doped reduced graphene oxide foams with desired monolithic structures for supercapacitors.

Daoqing Liu, Huazhang Zhao, Si‐Dian Li, 2019, Nanoscale.

Planar tetra-coordinate Si and Ge in perfectly squared Ni4Cl4X complexes

Si‐Dian Li, Jin-Chang Guo, 2007 .

Sandwich-type transition metal complexes [(CBO)n]2M with carbon boronyl ligands (CBO)n (n=4–6)

Si‐Dian Li, Chang-Qing Miao, Guang-Ming Ren, 2006 .

A strategy to reduce the impact of tar on a Ni‐YSZ anode of solid oxide fuel cells

Zongping Shao, Wei Zhou, Guangming Yang, 2019, International Journal of Energy Research.

In situ catalyzed Boudouard reaction of coal char for solid oxide-based carbon fuel cells with improved performance

Zongping Shao, Huili Chen, Zhenping Zhu, 2015 .

Utilization of low-concentration coal-bed gas to generate power using a core-shell catalyst-modified solid oxide fuel cell

Zongping Shao, F. Cheng, W. Zhou, 2020 .

Controlled deposition and utilization of carbon on Ni-YSZ anodes of SOFCs operating on dry methane

Zongping Shao, W. Zhou, Yujing Sha, 2016 .

In situ fabrication of (Sr,La)FeO4 with CoFe alloy nanoparticles as an independent catalyst layer for direct methane-based solid oxide fuel cells with a nickel cermet anode

Zongping Shao, Si‐Dian Li, J. Shi, 2016 .

Direct-methane solid oxide fuel cells with an in situ formed Ni–Fe alloy composite catalyst layer over Ni–YSZ anodes

Zongping Shao, F. Cheng, W. Zhou, 2020 .

Preparation of thin electrolyte film via dry pressing/heating /quenching/calcining for electrolyte-supported SOFCs

Zongping Shao, F. Cheng, Wei Zhou, 2019, Ceramics International.

Improvement of solid oxide fuel cell performance by a core‐shell structured catalyst using low concentration coal bed methane fuel

Zongping Shao, F. Cheng, Jielu Yan, 2020, International Journal of Energy Research.

Viable aromatic BenHn stars enclosing a planar hypercoordinate boron or late transition metal.

Xue-Feng Zhao, C. Yuan, Yan-Bo Wu, 2018, Physical chemistry chemical physics : PCCP.

Simulating the effect of a triple bond to achieve the shortest main group metal-metal distance in diberyllium complexes: a computational study.

Xiaotai Wang, Xue-Feng Zhao, C. Yuan, 2018, Dalton transactions.

Zigzag double-chain C–Be nanoribbon featuring planar pentacoordinate carbons and ribbon aromaticity

Qiang Wang, C. Yuan, Debao Li, 2017 .

D(3h) [A-CE3-A]⁻ (E = Al and Ga, A = Si, Ge, Sn, and Pb): a new class of hexatomic mono-anionic species with trigonal bipyramidal carbon.

Hua‐Jin Zhai, Hui Bai, Yan-Bo Wu, 2014, The Journal of chemical physics.

CAl2Be3(2-) and its salt complex LiCAl2Be3-: anionic global minima with planar pentacoordinate carbon.

Yan-Bo Wu, Si‐Dian Li, Haigang Lu, 2012, The journal of physical chemistry. A.

Half-Sandwich LaBn−/0 (n = 14–17): π Dually Aromatic Lanthanide Boride Complexes with Multicenter Fluxional Bonds

Si‐Dian Li, Xiao-Qin Lu, Zhihong Wei, 2021, Journal of Cluster Science.

Enhanced coking resistance of Ni cermet anodes for solid oxide fuel cells based on methane on‐cell reforming by a redox‐stable double‐perovskite Sr2MoFeO6‐δ

Guangming Yang, Si‐Dian Li, W. Zhou, 2018, International Journal of Energy Research.

(C6H6Cr)n&B40 (n = 1–6): Exohedral Borospherene Complexes with Cage-like B40 as an Effective Ligand with Multiple Coordination Sites

Yan-Bo Wu, Si‐Dian Li, Haigang Lu, 2019, Journal of Cluster Science.

Low temperature fabrication of high performance p-n junction on the Ti foil for use in large-area flexible dye-sensitized solar cells

G. Han, Yaoming Xiao, Jihuai Wu, 2014 .

Face-capping μ3-BO in B6(BO)7-: boron oxide analogue of B6H7- with rhombic 4c-2e bonds.

Hua‐Jin Zhai, Si‐Dian Li, Jin-Chang Guo, 2013, The journal of physical chemistry. A.

[Ta3O3]A (A = Li, Na, K) and [Ta3O3]B[Ta3O3] (B = Ca, Sr, Ba): Sandwich‐Type Complexes Containing Ta3O3– δ and π Double Aromatic Ligands

Si‐Dian Li, Jin-Chang Guo, Chang-Qing Miao, 2008 .

Single atom catalysts by atomic diffusion strategy

Si‐Dian Li, Haigang Lu, Min Zhang, 2021 .

Prediction of freestanding semiconducting bilayer borophenes

Zhuhua Zhang, Si‐Dian Li, Yuewen Mu, 2022, Nano Research.

Combined spectral experiment and theoretical calculation to study the chemosensors of copper and their applications in anion bioimaging

Anmin Zheng, Jianbin Chao, Yongbin Zhang, 2013 .

Planar B41- and B42- clusters with double-hexagonal vacancies.

Lai‐Sheng Wang, Hui Bai, B. Bai, 2019, Nanoscale.

Endohedral charge-transfer complex Ca@B37(-): stabilization of a B37(3-) borospherene trianion by metal-encapsulation.

Hua‐Jin Zhai, Si‐Dian Li, Qiang Chen, 2016, Physical chemistry chemical physics : PCCP.

M(C6X6Li6)2 (M = Cr, Mo, W; X = O, S): Transition-metal sandwich complexes with π-aromatic C6X6Li6 ligands

Si‐Dian Li, Jin-Chang Guo, Haigang Lu, 2013 .

Predicting bilayer B50, B52, B56, and B58: structural evolution in bilayer B48–B72 clusters

Si‐Dian Li, Ling Pei, Qiao-Qiao Yan, 2021, Journal of Molecular Modeling.

Bilayer B 54 , B 60 , and B 62 Clusters in a Universal Structural Pattern

Si‐Dian Li, Qiang Chen, Yuewen Mu, 2020 .

Novel B-C binary fullerenes following the isolated B4C3 hexagonal pyramid rule

Si‐Dian Li, Yuewen Mu, Yuan-Yuan Ma, 2020, Journal of Molecular Modeling.

Perfect cubic La-doped boron clusters La6&[La@B24]+/0 as the embryos of low-dimensional lanthanide boride nanomaterials

Si‐Dian Li, Yuewen Mu, Xiao-Qin Lu, 2020, RSC advances.

Sea-shell-like B31+ and B32: two new axially chiral members of the borospherene family

Yan-Bo Wu, Si‐Dian Li, Haigang Lu, 2020, RSC advances.

Predicting lanthanide boride inverse sandwich tubular molecular rotors with the smallest core-shell structure.

Si‐Dian Li, Qiang Chen, Haigang Lu, 2019, Nanoscale.

High-symmetry tubular Ta@B183-, Ta2@B18, and Ta2@B27+ as embryos of α-boronanotubes with a transition-metal wire coordinated inside.

Si‐Dian Li, Haigang Lu, Yuewen Mu, 2018, Physical chemistry chemical physics : PCCP.

Cage-like Ta@B complexes (n = 23-28, q = -1-+ 3) in 18-electron configurations with the highest coordination number of twenty-eight.

Yan-Bo Wu, Si‐Dian Li, Haigang Lu, 2018, Nanoscale.

Ih Symmetrical (4,6)-Fullerenes and Their Local Ring Aromaticity: A First Principle Study

Si‐Dian Li, Haigang Lu, Ying-Juan Fan, 2015 .

A Density Functional Investigation on C2Aun+ (n = 1, 3, 5) and C2Aun (n = 2, 4, 6): from Gold Terminals, Gold Bridges, to Gold Triangles

Si‐Dian Li, Da‐Zhi Li, 2011 .

A first-principles study on the B5O5 (+/0) and B5O5 (-) clusters: The boron oxide analogs of C6H5 (+/0) and CH3Cl.

Hua‐Jin Zhai, Si‐Dian Li, Qiang Chen, 2015, The Journal of chemical physics.

Photoelectron spectroscopy of B4O4 (-): Dual 3c-4e π hyperbonds and rhombic 4c-4e o-bond in boron oxide clusters.

Hua‐Jin Zhai, Si‐Dian Li, Hongguang Xu, 2015, The Journal of chemical physics.

Probing the structures and chemical bonding of boron-boronyl clusters using photoelectron spectroscopy and computational chemistry: B4(BO)(n)- (n = 1-3).

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2012, The Journal of chemical physics.

M@B9 and M@B10 molecular wheels containing planar nona- and deca-coordinate heavy group 11, 12, and 13 metals (M=Ag, Au, Cd, Hg, In, Tl)

Si‐Dian Li, Jin-Chang Guo, Chang-Qing Miao, 2009 .

Simplest neutral singlet C2E4 (E = Al, Ga, In, and Tl) global minima with double planar tetracoordinate carbons: equivalence of C2 moieties in C2E4 to carbon centers in CAl4(2-) and CAl5(+).

Yan-Bo Wu, Si‐Dian Li, Zhi‐Xiang Wang, 2009, The journal of physical chemistry. A.

Density functional theory investigations on boronyl-substituted ethylenes C2H4−m(BO)m (m = 1–4) and acetylenes C2H2−m(BO)m (m = 1, 2)

Si‐Dian Li, Jin-Chang Guo, Guang-Ming Ren, 2007 .

Boronyl chemistry: the BO group as a new ligand in gas-phase clusters and synthetic compounds.

Lai‐Sheng Wang, Hua‐Jin Zhai, Hui Bai, 2014, Accounts of chemical research.

Planar or quasi-planar octa- and ennea-coordinate aluminum and gallium in boron rings

Si‐Dian Li, Jin-Chang Guo, Zhuo Li, 2009 .

Planar tetra-, penta-, hexa-, hepta-, and octacoordinate silicons: a universal structural pattern.

Si‐Dian Li, Jin-Chang Guo, Chang-Qing Miao, 2004, Journal of the American Chemical Society.

Two-dimensional carbon allotropes from graphene to graphyne

Si‐Dian Li, Haigang Lu, 2013 .

Superatomic icosahedral-CnB12-n (n = 0, 1, 2) Stuffed mononuclear and binuclear borafullerene and borospherene nanoclusters with spherical aromaticity

Si‐Dian Li, Haigang Lu, Xin-Xin Tian, 2022, Scientific Reports.

On the analogy of B-BO and B-Au chemical bonding in B11O- and B10Au- clusters.

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2010, The journal of physical chemistry. A.

M ( C 6 X 6 Li 6 ) 2 ( M = Cr , Mo , W ; X = O , S ) : Transition-metal sandwich complexes with p-aromatic C 6 X 6 Li 6 ligands

Si‐Dian Li, Jin-Chang Guo, Haigang Lu, 2014 .

[(Eta6-B6X)2M] (X=C, N; M=Mn, Fe, Co, Ni): a new class of transition-metal sandwich-type complexes.

Si‐Dian Li, Jin-Chang Guo, Chang-Qing Miao, 2005, Angewandte Chemie.

Vibrationally resolved photoelectron spectroscopy of BO- and BO2-: a joint experimental and theoretical study.

Si-Dian Li, Leiming Wang, Lai‐Sheng Wang, 2007, The journal of physical chemistry. A.

Ternary B2X2H2 (X = O and S) rhombic clusters and their potential use as inorganic ligands in sandwich-type (B2X2H2)2Ni complexes.

Hua‐Jin Zhai, Si‐Dian Li, Da‐Zhi Li, 2015, Physical chemistry chemical physics : PCCP.

Boron-lead multiple bonds in the PbB2O– and PbB3O2– clusters

Lai‐Sheng Wang, Si‐Dian Li, Qiang Chen, 2022, Communications Chemistry.

Probing the Fluxional Bonding Nature of Rapid Cope rearrangements in Bullvalene C10H10 and Its Analogs C8H8, C9H10, and C8BH9

Yan-Bo Wu, Si‐Dian Li, Haigang Lu, 2019, Scientific Reports.

Quantum theory of concerted electronic and nuclear fluxes associated with adiabatic intramolecular processes.

Hua‐Jin Zhai, J. Manz, Yan-Bo Wu, 2015, Physical chemistry chemical physics : PCCP.

Planar Tetracoordinate Carbon Atoms in M4C Square Sheets (M = Ni, Pd, and Pt) Sandwiched between the Large π‐Coordinating Ligands [C8H8]2– and [C9H9]–

Si‐Dian Li, Jin-Chang Guo, 2010 .

Carbon-free D3d [E3ME3]2− (E=P, As; M=Ni, Pd, Pt): The smallest inorganic sandwich complexes with aromatic η3-P3− and η3-As3− ligands

Si‐Dian Li, Jin-Chang Guo, Qiang Chen, 2010 .

Probing the Low-Lying Electronic States of Cyclobutanetetraone (C4O4) and Its Radical Anion: A Low-Temperature Anion Photoelectron Spectroscopic Approach.

Xue‐Bin Wang, Si‐Dian Li, Jin-Chang Guo, 2012, The journal of physical chemistry letters.

Fluxional Bonds in Tubular Molecular Rotors B3-[Ta@B18] and B4-[Ta@B18]+ in 18-Electron Configurations

Si‐Dian Li, Yuewen Mu, Hai-Ru Li, 2019, Journal of Cluster Science.

Bridging gold in electron-deficient Al2Au(n)(0/-) and BAlAu(n)(0/-) (n = 1-3) clusters.

Si‐Dian Li, Zhanghui Lu, Wen-Zhi Yao, 2013, The journal of physical chemistry. A.

An Ab initio theoretical investigation on the geometrical and electronic structures of BAun−/0 (n = 1–4) clusters

Si‐Dian Li, Da‐Zhi Li, 2011 .

Bridging gold: B‐Au‐B three‐center‐two‐electron bonds in electron‐deficient B2Aun−/0 (n = 1, 3, 5) and mixed analogues

Si-Dian Li, Wen-Zhi Yao, Da-Zhi Li, 2011, J. Comput. Chem..

Perfectly planar boronyl boroxine D3h B6O6: a boron oxide analog of boroxine and benzene.

Hua‐Jin Zhai, Hui Bai, Si‐Dian Li, 2013, The Journal of chemical physics.

Lithium-Decorated Borospherene B40: A Promising Hydrogen Storage Medium

Hua‐Jin Zhai, Hui Bai, B. Bai, 2016, Scientific Reports.

First-principles investigations on C5O5-/0 and C6O6-/0 oxocarbons

Si‐Dian Li, Jin-Chang Guo, Haigang Lu, 2013 .

First-principles investigations on C 5 O = 0 5 and C 6 O = 0 6 oxocarbons

Si‐Dian Li, Jin-Chang Guo, Haigang Lu, 2012 .

Structural and electronic properties of Genm− and KGen− Zintl anions (n=3–10;m=2–4) from density functional theory

Xiuming Zhao, Hai-Shun Wu, Si‐Dian Li, 2002 .

Structures and chemical bonding of B3O3 (-/0) and B3O3H(-/0): A combined photoelectron spectroscopy and first-principles theory study.

Hua‐Jin Zhai, G. Feng, Si‐Dian Li, 2016, The Journal of chemical physics.

Bridging η2 -BO in B2(BO)3(-) and B3(BO)3(-) clusters: boronyl analogs of boranes.

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

B2(BO)60/- and B2(BS) 60/- doubly bridged structures containing BO or BS as ligands

Si‐Dian Li, Da‐Zhi Li, 2014, Journal of Molecular Modeling.

Photoelectron spectroscopy of boron-gold alloy clusters and boron boronyl clusters: B3Au(n)(-) and B3(BO)n(-) (n = 1, 2).

Lai‐Sheng Wang, Hua‐Jin Zhai, Hui Bai, 2013, The Journal of chemical physics.

Chitosan-confined synthesis of N-doped and carbon-coated Li4Ti5O12 nanoparticles with enhanced lithium storage for lithium-ion batteries

D. Shu, T. Meng, Fenyun Yi, 2018 .

Using hydroxylamine as a reducer to prepare N-doped graphene hydrogels used in high-performance energy storage

Feifei Liu, G. Han, Si‐Dian Li, 2013 .

B30H8, B39H92−, B42H10, B48H10, and B72H12: polycyclic aromatic snub hydroboron clusters analogous to polycyclic aromatic hydrocarbons

Qiang Chen, Ya-Fan Zhao, Jun Li, 2013, Journal of Molecular Modeling.

Double-chain planar D2h B4H2, C2h B8H2, and C2h B12H2: conjugated aromatic borenes.

Yan-Bo Wu, Si‐Dian Li, Qiang Chen, 2012, Physical chemistry chemical physics : PCCP.

Planar π-aromatic C3h B6H3+ and π-antiaromatic C2h B8H2: boron hydride analogues of D3h C3H3+ and D2h C4H4

Si‐Dian Li, Haigang Lu, Da‐Zhi Li, 2012, Journal of Molecular Modeling.

The unified quantum mechanical structure of tubular molecular rotors with multiple equivalent global minimum structures: the 18*C2h → D9d case of La-[B2@B18]-La.

Si‐Dian Li, Yonggang Yang, Xiao-Qin Lu, 2021, Physical chemistry chemical physics : PCCP.

Multiple Dirac cones in BN co-doped β-graphyne

Si‐Dian Li, Yuewen Mu, 2016 .

Planar B38- and B37- clusters with a double-hexagonal vacancy: molecular motifs for borophenes.

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2017, Nanoscale.

Perfect Spherical Tetrahedral Metallo-Borospherene Ta4B18 as a Superatom Following the 18-Electron Rule

Si‐Dian Li, Xiao-Qin Lu, Miao Yan, 2021, ACS omega.

From inverse sandwich Ta2B7+ and Ta2B8 to spherical trihedral Ta3B12−: prediction of the smallest metallo-borospherene

Si‐Dian Li, Miao Yan, Yu Zhang, 2020, RSC advances.

Observation of a metal-centered B2-Ta@B18- tubular molecular rotor and a perfect Ta@B20- boron drum with the record coordination number of twenty.

Lai‐Sheng Wang, Xin Chen, Jun Li, 2017, Chemical communications.

Predicting the Structural Transition in Medium‐Sized Boron Nanoclusters: From Bilayer B 64 , B 66 , B 68 , B 70 , and B 72 to Core‐Shell B 74

Si‐Dian Li, Q. Yan, Ling Pei, 2021, European Journal of Inorganic Chemistry.

B48-: a bilayer boron cluster.

Lai‐Sheng Wang, Si‐Dian Li, Qiang Chen, 2021, Nanoscale.

“W-X-M” transformations in isomerization of B39− borospherenes

Si‐Dian Li, Qiang Chen, Haigang Lu, 2016 .

Boronyl as a terminal ligand in boron oxide clusters: hexagonal ring C(2v) B6O4 and ethylene-like D(2h) B6O4(-/2-).

Hua‐Jin Zhai, Hui Bai, Si‐Dian Li, 2015, Physical chemistry chemical physics : PCCP.

Planar dicyclic B6S6, B6S6(-), and B6S6(2-) clusters: boron sulfide analogues of naphthalene.

Hua‐Jin Zhai, Hui Bai, Si‐Dian Li, 2015, The Journal of chemical physics.

Covalent Bonding in Au(BO)2− and Au(BS)2−

Si‐Dian Li, Haigang Lu, Chang-Qing Miao, 2013, Journal of Cluster Science.

Perfectly planar concentric π-aromatic B18H3-, B18H4, B18H5+, and B18H6(2+) with [10]annulene character.

Hui Bai, Si‐Dian Li, Jin-Chang Guo, 2011, Physical chemistry chemical physics : PCCP.

Hydrogenation of B120/−: A Planar-to-Icosahedral Structural Transition in B12Hn0/− (n = 1–6) Boron Hydride Clusters

Hui Bai, Si‐Dian Li, 2011 .

π-Aromatic B16H6: A Neutral Boron Hydride Analogue of Naphthalene

Si‐Dian Li, Qiang Chen, 2011 .

C2h (BnEmSi)2H2 molecules (E = B, C, Si; n = 3-6; m = 1, 2) containing double planar tetra-, penta-, and hexacoordinate silicons.

Si‐Dian Li, Jin-Chang Guo, Chang-Qing Miao, 2005, The journal of physical chemistry. A.

M4H4X: hydrometals (M=Cu, Ni) containing tetracoordinate planar nonmetals (X=B, C, N, O).

Si‐Dian Li, Chang-Qing Miao, Guang-Ming Ren, 2004, Angewandte Chemie.

Charge-induced structural transition between seashell-like B29- and B29+ in 18 π-electron configurations.

Yan-Bo Wu, Si‐Dian Li, Qiang Chen, 2018, Physical chemistry chemical physics : PCCP.

H2S poisoning effect and ways to improve sulfur tolerance of nickel cermet anodes operating on carbonaceous fuels

Wei Wang, Zongping Shao, Huili Chen, 2016 .

Mesoporous carbon nanofibers with large cage-like pores activated by tin dioxide and their use in supercapacitor and catalyst support

Feifei Liu, G. Han, Yaoming Xiao, 2014 .

Predicting two-dimensional semiconducting boron carbides.

Zhuhua Zhang, Si‐Dian Li, Haigang Lu, 2019, Nanoscale.

A first-principles study on zigzag phosphorene nanoribbons passivated by iron-group atoms.

Si‐Dian Li, Yuewen Mu, Ying-Juan Fan, 2017, Physical chemistry chemical physics : PCCP.

Sc@B28−, Ti@B28, V@B28+, and V@B292−: Spherically Aromatic Endohedral Seashell-like Metallo-Borospherenes

Si‐Dian Li, Xiao-Qin Lu, Min Zhang, 2023, Molecules.

Prediction of heptagonal bipyramidal nonacoordination in highly viable [OB-M©B7O7-BO]− (M = Fe, Ru, Os) complexes

C. Yuan, Yan-Bo Wu, Si‐Dian Li, 2022, Communications Chemistry.

Metal-centered monocyclic carbon wheel clusters with record coordination numbers in planar species

Si‐Dian Li, Haigang Lu, Xiao-Qin Lu, 2021, RSC advances.

Cage-like La4B24 and Core-Shell La4B290/+/− : perfect spherically aromatic tetrahedral metallo-borospherenes

Si‐Dian Li, Xiao-Qin Lu, Zhihong Wei, 2021, Journal of Molecular Modeling.

Axially Chiral Cage-Like B38+ and B382+: New Aromatic Members of the Borospherene Family

Si‐Dian Li, Yuewen Mu, Hui Liu, 2020, Journal of Cluster Science.

Donor–acceptor duality of the transition-metal-like B2 core in core–shell-like metallo-borospherenes La3&[B2@B17]− and La3&[B2@B18]−

Si‐Dian Li, Miao Yan, Zhihong Wei, 2020, RSC advances.

B31- and B32-: chiral quasi-planar boron clusters.

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2019, Nanoscale.

Fluxional bonds in quasi‐planar B182− and half‐sandwich MB18− (M = K, Rb, and Cs)

Miao Yan, Si-Dian Li, Hai-Ru Li, 2019, Journal of computational chemistry.

NiB10, NiB11−, NiB12, and NiB13+: Half-Sandwich Complexes with the Universal Coordination Bonding Pattern of σ Plus π Double Delocalization

Si‐Dian Li, Haigang Lu, Xin-Xin Tian, 2018, Journal of Cluster Science.

Aromatic cage-like B34 and B35+: new axially chiral members of the borospherene family.

Si‐Dian Li, Qiang Chen, Haigang Lu, 2018, Physical chemistry chemical physics : PCCP.

Structural transition in metal-centered boron clusters: from tubular molecular rotors Ta@B21 and Ta@B22+ to cage-like endohedral metalloborospherene Ta@B22.

Jun Li, Si‐Dian Li, Haigang Lu, 2017, Physical chemistry chemical physics : PCCP.

B 26 - : The smallest planar boron cluster with a hexagonal vacancy and a complicated potential landscape

Tian Jian, Qiang Chen, Jun Li, 2017 .

Heteroborospherene clusters Nin ∈ B40 (n = 1–4) and heteroborophene monolayers Ni2 ∈ B14 with planar heptacoordinate transition-metal centers in η7-B7 heptagons

Si‐Dian Li, Haigang Lu, Yuewen Mu, 2017, Scientific Reports.

Cage-like B39+ clusters with the bonding pattern of σ + π double delocalization: new members of the borospherene family.

Si‐Dian Li, Qiang Chen, Haigang Lu, 2017, Physical chemistry chemical physics : PCCP.

Competition between quasi-planar and cage-like structures in the B29- cluster: photoelectron spectroscopy and ab initio calculations.

Lai‐Sheng Wang, Hua‐Jin Zhai, Kang Wang, 2016, Physical chemistry chemical physics : PCCP.

Star-like superalkali cations featuring planar pentacoordinate carbon.

Hua‐Jin Zhai, Xue-Feng Zhao, Yan-Bo Wu, 2016, The Journal of chemical physics.

Cage-like B40+: a perfect borospherene monocation

Hua‐Jin Zhai, Si‐Dian Li, Qiang Chen, 2016, Journal of Molecular Modeling.

Endohedral Ca@B38: stabilization of a B38(2-) borospherene dianion by metal encapsulation.

Hua‐Jin Zhai, Si‐Dian Li, Qiang Chen, 2016, Physical chemistry chemical physics : PCCP.

Observation and characterization of the smallest borospherene, B28(-) and B28.

Jun Li, Tian Jian, Qiang Chen, 2016, The Journal of chemical physics.

Endohedral C3 Ca@B39(+) and C2 Ca@B39(+): axially chiral metalloborospherenes based on B39(-).

Hua‐Jin Zhai, Hui Bai, Si‐Dian Li, 2015, Physical chemistry chemical physics : PCCP.

Cage-Like B41 (+) and B42 (2+) : New Chiral Members of the Borospherene Family.

Hua‐Jin Zhai, Hui Bai, Si‐Dian Li, 2015, Angewandte Chemie.

Experimental and theoretical evidence of an axially chiral borospherene.

Jun Li, Qiang Chen, Ya-Fan Zhao, 2015, ACS nano.

A CO2-tolerant SrCo0.8Fe0.15Zr0.05O3−δ cathode for proton-conducting solid oxide fuel cells

Zongping Shao, Si‐Dian Li, Huili Chen, 2020 .

A novel borophene featuring heptagonal holes: a common precursor of borospherenes.

Si‐Dian Li, Qiang Chen, Haigang Lu, 2017, Physical chemistry chemical physics : PCCP.

Endohedral and exohedral metalloborospherenes: M@B40 (M=Ca, Sr) and M&B40 (M=Be, Mg).

Hua‐Jin Zhai, Hui Bai, Si‐Dian Li, 2015, Angewandte Chemie.

Quasi-planar aromatic B36 and B36(-) clusters: all-boron analogues of coronene.

Zhipan Liu, Hua‐Jin Zhai, Hui Bai, 2014, Physical chemistry chemical physics : PCCP.

The B35 cluster with a double-hexagonal vacancy: a new and more flexible structural motif for borophene.

Jun Li, Qiang Chen, Ya-Fan Zhao, 2014, Journal of the American Chemical Society.

B111, B112, B113, and B114: The most stable core-shell borospherenes with an icosahedral B12 core at the center exhibiting superatomic behaviors

Si‐Dian Li, Haigang Lu, Min Zhang, 2021, Nano Research.

Cage-like B 40 C 30 , B 40 C 40 , and B 40 C 50 : high-symmetry heterofullerenes isovalent with C 60 , C 70 , and C 80

Si‐Dian Li, Miao Yan, Xin-Xin Tian, 2018 .

From Quasi-Planar B56 to Penta-Ring Tubular Ca©B56: Prediction of Metal-Stabilized Ca©B56 as the Embryo of Metal-Doped Boron α-Nanotubes

Si‐Dian Li, Qiang Chen, Haigang Lu, 2016, Scientific Reports.

D5h Cu5H5X: Pentagonal Hydrocopper Cu5H5 Containing Pentacoordinate Planar Nonmetal Centers (X = B, C, N, O)

Si‐Dian Li, Chang-Qing Miao, Guang-Ming Ren, 2004 .

The influence of impurity ions on the permeation and oxygen reduction properties of Ba0.5Sr0.5Co0.8Fe0.2O3−δ perovskite

Zongping Shao, M. Tadé, Yubo Chen, 2014 .

Low-temperature Liquid Exfoliation of Milligram-scale Single Crystalline Few-layer β12-Borophene Sheets as Efficient Electrocatalysts for Lithium–Sulfur Batteries

Jijun Zhao, Haodong Shi, Zhong‐Shuai Wu, 2021 .

Low-dimensional functional networks of cage-like B40 with effective transition-metal intercalations.

Si‐Dian Li, Haigang Lu, Yuewen Mu, 2019, Physical chemistry chemical physics : PCCP.

Ribbon Aromaticity of Double-Chain B2nC2H2 Clusters (n = 2–9): A First Principle Study

Hui Bai, Si‐Dian Li, Qiang Chen, 2015, Journal of Cluster Science.

Ribbon aromaticity in double-chain planar B(n)H2(2-) and Li2B(n)H2 nanoribbon clusters up to n = 22: lithiated boron dihydride analogues of polyenes.

Hua‐Jin Zhai, Hui Bai, Yan-Bo Wu, 2013, Physical chemistry chemical physics : PCCP.

Double-chain planar D 2 h B 4 H 2 , C 2 h B 8 H 2 , and C 2 h B 12 H 2 : conjugated aromatic borenes w

Yan-Bo Wu, Si‐Dian Li, Qiang Chen, 2014 .

Three-chain B(6n+14) cages as possible precursors for the syntheses of boron fullerenes.

Si‐Dian Li, Haigang Lu, 2013, The Journal of chemical physics.

A solid oxide carbon fuel cell operating on pomelo peel char with high power output

Wei Wang, S. Shuang, Songbai Wang, 2019 .

Fluxional Bonds in Planar B19−, Tubular Ta@B20−, and Cage‐Like B39−

Miao Yan, Si-Dian Li, Xiao-Qin Lu, 2018, J. Comput. Chem..

Heteroborospherene clusters Nin ∈ B40 (n = 1–4) and heteroborophene monolayers Ni2 ∈ B14 with planar heptacoordinate transition-metal centers in η7-B7 heptagons

Si‐Dian Li, Haigang Lu, Yuewen Mu, 2017, Scientific Reports.

23 – 28 , q = − 1 – + 3 ) in 18-electron con fi gurations with the highest coordination number of twenty-eight †

Yan-Bo Wu, Si‐Dian Li, Haigang Lu, 2018 .

Ab initio theoretical investigation on the geometrical and electronic structures of gallium aurides: GaAu n 0/- and Ga 2 Au n 0/- (n = 1-4)

Si-Dian Li, Wen-Zhi Yao, Si‐Dian Li, 2015 .

Deciphering the mystery of hexagon holes in an all-boron graphene α-sheet.

Hui Bai, Si‐Dian Li, Jin-Chang Guo, 2011, Physical chemistry chemical physics : PCCP.

M5H5X (M = Ag, Au, Pd, Pt; X = Si, Ge, P, S): hydrometal pentagons with D5h planar pentacoordinate nonmetal centers.

Si‐Dian Li, Chang-Qing Miao, 2005, The journal of physical chemistry. A.

Hexacoordinate planar main group atoms centered in hexagonal hydrocopper complexes Cu6H6X (X = Si, P, As).

Si‐Dian Li, Chang-Qing Miao, Guang-Ming Ren, 2004, Inorganic chemistry.

Hexacoordinate Planar Main Group Atoms Centered in Hexagonal Hydrocopper Complexes Cu6H6X (X: Si, P, As).

Si‐Dian Li, Chang-Qing Miao, Guang-Ming Ren, 2004 .

M5H5X (M: Ag, Au, Pd, Pt; X: Si, Ge, P, S): Hydrometal Pentagons with D5h Planar Pentacoordinate Nonmetal Centers.

Si‐Dian Li, Chang-Qing Miao, 2005 .

Cage-like B40C30, B40C40, and B40C50: high-symmetry heterofullerenes isovalent with C60, C70, and C80

Si‐Dian Li, Miao Yan, Xin-Xin Tian, 2018, Journal of Molecular Modeling.

Exfoliation of borophenes from silver substrates assisted by Li/Mg atoms—a density functional theory study

Si‐Dian Li, Yuewen Mu, Yingping Wang, 2019, Journal of Materials Chemistry C.

B33– and B34–: Aromatic Planar Boron Clusters with a Hexagonal Vacancy

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2017 .

Direct Operation of Solid Oxide Fuel Cells on Low-Concentration Oxygen-Bearing Coal-Bed Methane with High Stability

Zongping Shao, M. Tadé, W. Zhou, 2018 .

An ab initio investigation on the vertical electron detachment energies of semiconductor-alkali binary anions EnA− (A=K, Na, Li; E=Ge, Si; n=1–10)

Si‐Dian Li, Guang-Ming Ren, Z. Jin, 2003 .

Structures and aromaticities of carbon-rich semiconductor microclusters GelSimCn: An ab initio study

Hai-Shun Wu, Si‐Dian Li, Hong-Lang Yu, 2003 .

An ab initio investigation on aromaticities in semiconductor systems

Hai-Shun Wu, Si‐Dian Li, Hong-Lang Yu, 2002 .

B11(-): a moving subnanoscale tank tread.

Hua‐Jin Zhai, Si‐Dian Li, Qiang Chen, 2015, Nanoscale.

Ionization potentials, electron affinities, and vibrational frequencies of Gen (n=5–10) neutrals and charged ions from density functional theory

Zhichao Zhao, Hai-Shun Wu, Si‐Dian Li, 2001 .

Transition-metal-like bonding behaviors of a boron atom in a boron-cluster boronyl complex [(η7-B7)-B-BO]−†

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2021, Chemical science.

Interactions between water and rhodium clusters: molecular adsorption versus cluster adsorption.

Zhixun Luo, Haiming Wu, Hanyu Zhang, 2021, Nanoscale.

Observation of an all-boron fullerene.

Lai‐Sheng Wang, Zhipan Liu, Ya-Fan Zhao, 2014, Nature chemistry.

Chemical bonding and dynamic fluxionality of a B15(+) cluster: a nanoscale double-axle tank tread.

Hua‐Jin Zhai, Kang Wang, Si‐Dian Li, 2016, Physical Chemistry, Chemical Physics - PCCP.

B11(-): a moving subnanoscale tank tread.

Hua‐Jin Zhai, Si‐Dian Li, Qiang Chen, 2015, Nanoscale.

Probing the structures and bonding of size-selected boron and doped-boron clusters.

Lai‐Sheng Wang, Jun Li, Si‐Dian Li, 2019, Chemical Society reviews.

B31- and B32-: chiral quasi-planar boron clusters.

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2019, Nanoscale.

Aromatic cage-like B34 and B35+: new axially chiral members of the borospherene family.

Si‐Dian Li, Qiang Chen, Haigang Lu, 2018, Physical chemistry chemical physics : PCCP.

B12Fn0/- (n = 1-6) series: when do boron double chain nanoribbons become global minima?

Hua‐Jin Zhai, Hui Bai, B. Bai, 2017, Physical chemistry chemical physics : PCCP.

Double-ring tubular (B2O2)n clusters (n = 6-42) rolled up from the most stable BO double-chain ribbon in boron monoxides.

Si‐Dian Li, Haigang Lu, Yuewen Mu, 2017, Physical chemistry chemical physics : PCCP.

Planar B38- and B37- clusters with a double-hexagonal vacancy: molecular motifs for borophenes.

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2017, Nanoscale.

A universal mechanism of the planar boron rotors B11-, B13+, B15+, and B19-: inner wheels rotating in pseudo-rotating outer bearings.

Hua‐Jin Zhai, Si‐Dian Li, D. Jia, 2017, Nanoscale.

Cage-Like B41 (+) and B42 (2+) : New Chiral Members of the Borospherene Family.

Hua‐Jin Zhai, Hui Bai, Si‐Dian Li, 2015, Angewandte Chemie.

Three-chain B(6n+14) cages as possible precursors for the syntheses of boron fullerenes.

Si‐Dian Li, Haigang Lu, 2013, The Journal of chemical physics.

Photoelectron spectroscopy of aromatic compound clusters of the B12 all-boron benzene: B12Au- and B12(BO)-.

Lai‐Sheng Wang, Hua‐Jin Zhai, Hui Bai, 2013, Physical chemistry chemical physics : PCCP.

On the structures and bonding in boron-gold alloy clusters: B6Au(n)- and B6Au(n) (n = 1-3).

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2013, The Journal of chemical physics.

Binary nature of monolayer boron sheets from ab initio global searches.

Hui Bai, Si‐Dian Li, Qiang Chen, 2013, The Journal of chemical physics.

First-Principles Study on the Oxidation of Supported β12-Borophene

Si‐Dian Li, Yuewen Mu, 2020 .

Pi and sigma double conjugations in boronyl polyboroene nanoribbons: B(n)(BO)2- and B(n)(BO)2 (n = 5-12).

Lai‐Sheng Wang, Hua‐Jin Zhai, Hui Bai, 2013, The Journal of chemical physics.

Planar D2h B26H8, D2h B26H82+, and C2h B26H6: Building Blocks of Stable Boron Sheets with Twin-Hexagonal Holes

Hui Bai, Yan-Bo Wu, Si‐Dian Li, 2013, Journal of Cluster Science.

B2(BO)2(2-)-diboronyl diborene: a linear molecule with a triple boron-boron bond.

Lai‐Sheng Wang, Hua‐Jin Zhai, Si‐Dian Li, 2008, Journal of the American Chemical Society.

(M4H3X)2B2O2: hydrometal complexes (M = Ni, Mg) containing double tetracoordinate planar nonmetal centers (X = C, N).

Si‐Dian Li, Chang-Qing Miao, Guang-Ming Ren, 2005, The journal of physical chemistry. A.