Duan W - Search Results

1

Large negative thermal expansion in non-perovskite lead-free ferroelectric Sn2P2S6.

Rong Y, Li M, Chen J, Zhou M, Lin K, Hu L, Yuan W, Duan W, Deng J, Xing X. Rong Y, et al. Among authors: duan w. Phys Chem Chem Phys. 2016 Feb 17;18(8):6247-51. doi: 10.1039/c6cp00011h. Phys Chem Chem Phys. 2016. PMID: 26854264

2

Adsorption of DNA/RNA nucleobases on hexagonal boron nitride sheet: an ab initio study.

Lin Q, Zou X, Zhou G, Liu R, Wu J, Li J, Duan W. Lin Q, et al. Among authors: duan w. Phys Chem Chem Phys. 2011 Jul 14;13(26):12225-30. doi: 10.1039/c1cp20783k. Epub 2011 Jun 3. Phys Chem Chem Phys. 2011. PMID: 21637870

3

Single layer lead iodide: computational exploration of structural, electronic and optical properties, strain induced band modulation and the role of spin-orbital-coupling.

Zhou M, Duan W, Chen Y, Du A. Zhou M, et al. Among authors: duan w. Nanoscale. 2015 Oct 7;7(37):15168-74. doi: 10.1039/c5nr04431f. Nanoscale. 2015. PMID: 26312757

4

Pressure and strain effects of hexagonal rare-earth manganites: a first-principles study.

Tan H, Xu C, Li M, Wang S, Gu BL, Duan W. Tan H, et al. Among authors: duan w. J Phys Condens Matter. 2016 Mar 31;28(12):126002. doi: 10.1088/0953-8984/28/12/126002. Epub 2016 Feb 26. J Phys Condens Matter. 2016. PMID: 26916139

5

First-principles study of line-defect-embedded zigzag graphene nanoribbons: electronic and magnetic properties.

Guan Z, Si C, Hu S, Duan W. Guan Z, et al. Among authors: duan w. Phys Chem Chem Phys. 2016 Apr 28;18(17):12350-6. doi: 10.1039/c6cp01263a. Phys Chem Chem Phys. 2016. PMID: 27087060

6

Effect of Hartree-Fock pseudopotentials on local density functional theory calculations.

Tan H , Li Y , Zhang SB , Duan W . Tan H , et al. Among authors: duan w. Phys Chem Chem Phys. 2018 Jul 11;20(27):18844-18849. doi: 10.1039/c8cp00990b. Phys Chem Chem Phys. 2018. PMID: 29966032

7

Hexagonal rare-earth manganites and ferrites: a review of improper ferroelectricity, magnetoelectric coupling, and unusual domain walls.

Li M, Tan H, Duan W. Li M, et al. Among authors: duan w. Phys Chem Chem Phys. 2020 Jul 8;22(26):14415-14432. doi: 10.1039/d0cp02195d. Phys Chem Chem Phys. 2020. PMID: 32584340

8

A computational study on bifunctional 1T-MnS₂ with an adsorption-catalysis effect for lithium-sulfur batteries.

Duan S, Liu M, Cao C, Liu H, Ye M, Duan W. Duan S, et al. Among authors: duan w. Phys Chem Chem Phys. 2023 Aug 2;25(30):20546-20556. doi: 10.1039/d3cp01633a. Phys Chem Chem Phys. 2023. PMID: 37470670

9

Engineering strong spin-frustration at the surface of three-dimensional graphene.

Li W, Chen K, Li M, Gao H, Zhao J, Zheng F, Duan W. Li W, et al. Among authors: duan w. Sci Bull (Beijing). 2024 Sep 30;69(18):2816-2819. doi: 10.1016/j.scib.2024.07.036. Epub 2024 Jul 26. Sci Bull (Beijing). 2024. PMID: 39153906 No abstract available.

10

Single electron emission from the closed-tips of single-walled carbon nanotubes.

Zhou G, Duan W, Gu B. Zhou G, et al. Among authors: duan w. J Chem Phys. 2004 Dec 22;121(24):12600-5. doi: 10.1063/1.1796291. J Chem Phys. 2004. PMID: 15606283

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