Yan Song

发表

Highly reversible oxygen redox in layered compounds enabled by surface polyanions

G. Henkelman, Yi-Rong Pei, L. Zhen, 2020, Nature Communications.

Effects of doping on photoelectrical properties of one-dimensional α-Si3N4 nanomaterials: A first-principles study

G. Wen, Yan Song, L. Xia, 2018, Physica B: Condensed Matter.

Regioselective Electrophilic Aromatic Bromination: Theoretical Analysis and Experimental Verification

Yan Song, Yan‐Chao Wu, Hui-jing Li, 2014, Molecules.

The impact of diperfluorophenyl and thienyl substituents on the electronic structures and charge transport properties of the fused thiophene semiconductors

Yan Song, J. Dai, Lijuan Wang, 2018, International Journal of Quantum Chemistry.

A theoretical study of the electronic structure and charge transport properties of thieno[2,3-b]benzothiophene based derivatives.

Yan Song, Lijuan Wang, Tao Li, 2016, Physical chemistry chemical physics : PCCP.

Electronic Structure Controlling of Assembly and Optical Properties of TiO2 Nanotube Arrays

Yan Song, J. Dai, 2016 .

Research Progress of First Principles Studies on Oxidation Behaviors of Ti-Al Alloys and Alloying Influence

Yan Song, J. Dai, Yue Li, 2021, Metals.

Calculation of bulk modulus of titanium alloys by first principles electronic structure theory

Yan Song, Z. Hu, Rui Yang, 1999 .

A Green Blowing Strategy toward Massive Synthesis of P, N, S-codoped Carbon Nanosheets Incorporated with Metal Phosphides and the Lithium Storage Application

Fei Liu, Weiwei Zhou, Yongming Zhu, 2021 .

Stability and hydrogen adsorption properties of Mg/Mg2Ni interface: A first principles study

Yan Song, J. Dai, Yuying Chen, 2018, International Journal of Hydrogen Energy.

A first-principles study on interaction of Mg/Ni interface and its hydrogen absorption characteristics

Yan Song, J. Dai, Yuying Chen, 2016 .

Influence of alloying elements on the stability and dehydrogenation properties on Y(BH4)3 by first principles calculations

Yan Song, Yuying Chen, R. Xie, 2016 .

Strengthening Adhesion of the Hydroxyapatite and Titanium Interface by Substituting Silver and Zinc: A First Principles Investigation

Yan Song, Jingfeng Sun, 2018, ACS Applied Nano Materials.

Structural transformations in Li2MnSiO4: evidence that a Li intercalation material can reversibly cycle through a disordered phase

G. Henkelman, Yi-Rong Pei, L. Zhen, 2017 .

Site occupancy of alloying additions in titanium aluminides and its application to phase equilibrium evaluation

Yan Song, Rui Yang, Zhengxiao Guo, 2000 .

Enhancing adhesion of Al2O3 scale on Ti-Al intermetallics by alloying: A first principles study

Yuhai Li, Yan Song, J. Dai, 2020 .

Affinity of the interface between hydroxyapatite (0001) and titanium (0001) surfaces: a first-principles investigation.

Yan Song, Rui Yang, You Wang, 2014, ACS applied materials & interfaces.

Adsorption properties of oxygen atom on the surface of Ti2AlNb by first principles calculations

Yan Song, Rui Yang, J. Dai, 2017 .

First-principles study of the bonding characteristics of TiAl(111)/Al2O3(0001) interface

Xin Wu, Yan Song, Rui Yang, 2015 .

Effects of surface passivation on α-Si 3 N 4 nanobelts: A first-principles study

G. Wen, Yan Song, Li Xiong, 2016 .

Investigation of photoelectrical properties of α-Si3N4 nanobelts with surface modifications using first-principles calculations.

G. Wen, Yan Song, Li Xiong, 2016, Physical chemistry chemical physics : PCCP.

Orientation- and passivation-dependent stability and electronic properties of α-Si3N4 nanobelts.

G. Wen, Yan Song, B. Zhong, 2014, Physical chemistry chemical physics : PCCP.

Influences of alloying elements and oxygen on the stability and elastic properties of Mg17Al12

Yan Song, Rui Yang, J. Dai, 2014 .

Two-Dimensional, Ordered, Double Transition Metal Carbides (MXenes): A New Family of Promising Catalysts for the Hydrogen Evolution Reaction

Yan Song, J. Dai, Yuwen Cheng, 2018, The Journal of Physical Chemistry C.

First Principles Estimation of Bulk Modulus and Theoretical Strength of Titanium Alloys

Yan Song, Rui Yang, Zhengxiao Guo, 2002 .

CO2 reduction mechanism on the Nb2CO2 MXene surface: Effect of nonmetal and metal modification

Yumin Zhang, Yan Song, Yongtao Li, 2022 .

Single molybdenum atom anchored on 2D Ti2NO2 MXene as a promising electrocatalyst for N2 fixation.

Yumin Zhang, Yan Song, J. Dai, 2019, Nanoscale.

Nanostructure of Cr2CO2 MXene Supported Single Metal Atom as an Efficient Bifunctional Electrocatalyst for Overall Water Splitting

Yumin Zhang, Yan Song, J. Dai, 2019, ACS Applied Energy Materials.

Hierarchical Ni2P/Cr2CTx(MXene) composites with oxidized surface groups as efficient bifunctional electrocatalysts for overall water splitting

Yumin Zhang, Yan Song, J. Dai, 2019, Journal of Materials Chemistry A.

Transition metal modification and carbon vacancy promoted Cr2CO2 (MXenes): a new opportunity for a highly active catalyst for the hydrogen evolution reaction

Yumin Zhang, Yan Song, J. Dai, 2018 .

A systematic investigation of the catalytic performances of monolayer carbon nitride nanosheets C1-xNx.

Yumin Zhang, Yan Song, Yuwen Cheng, 2020, Physical chemistry chemical physics : PCCP.

Novel silicon nanoparticles with nitrogen-doped carbon shell dispersed in nitrogen-doped graphene and CNTs hybrid electrode for lithium ion battery

Yong Zhang, G. Wen, Yan Song, 2017 .

Stable silicon/3D porous N-doped graphene composite for lithium-ion battery anodes with self-assembly

G. Wen, Yan Song, Xiaofu Tang, 2018 .

Novel scalable synthesis of porous silicon/carbon composite as anode material for superior lithium-ion batteries

G. Wen, Yan Song, Xiaofu Tang, 2017 .

Adsorption properties of nucleobases on Fe, Co, Ni loaded TiO2 surface from first principles calculations

Yan Song, Zhichao Chen, Ao Chen, 2023, Chemical Physics Letters.

Understanding the impact of polymorphism on the electronic structures and charge transport properties of contorted hexabenzocoronene

Yan Song, Lijuan Wang, 2019, Journal of Molecular Structure.

The substituent effect on the photophysical and charge transport properties of non-planar dibenzo[a,m]rubicenes

Yan Song, J. Dai, Lijuan Wang, 2021, New Journal of Chemistry.

The doping and oxidation of 2D black and blue phosphorene: a new photocatalyst for nitrogen reduction driven by visible light.

Yumin Zhang, Yan Song, Yuwen Cheng, 2019, Physical chemistry chemical physics : PCCP.

First-principles investigation on stability and oxygen adsorption behavior of a O/B2 interface in Ti2AlNb alloys

Yan Song, J. Dai, Yue Li, 2020 .

First principles study of dehydrogenation properties of alkali/alkali-earth metal doped Mg 7 TiH 16

Yan Song, M. Bououdina, J. Dai, 2017 .

First-principles study on sodium storage properties of beryllium and boron dual-doped graphyne

Yan Song, J. Dai, Quandeng Chen, 2020 .

Highly reversible oxygen redox in layered compounds enabled by surface polyanions

G. Henkelman, Yi-Rong Pei, L. Zhen, 2020, Nature Communications.

A systematic computational investigation of the water splitting and N2 reduction reaction performances of monolayer MBenes.

Yumin Zhang, Yan Song, Yongtao Li, 2021, Physical chemistry chemical physics : PCCP.

Theoretical tuning of the singlet-triplet energy gap to achieve efficient long-wavelength thermally activated delayed fluorescence emitters: the impact of substituents.

Yan Song, Lijuan Wang, Tao Li, 2017, Physical chemistry chemical physics : PCCP.

Correlations of Equilibrium Properties and Electronic Structure of Pure Metals

Yan Song, J. Dai, Dongye He, 2019, Materials.

First Principles Study on the Interaction Mechanisms of Water Molecules on TiO2 Nanotubes

Yan Song, J. Dai, 2016, Materials.

Hydrogen induced changes of optical and magnetic properties of nanocrystalline Zn0.95Gd0.03M0.02O (M=Al,Mg): Experimental and DFT studies

Yan Song, J. Dai, M. Bououdina, 2019, Journal of Alloys and Compounds.

Catalytic mechanisms of TiH2 thin layer on dehydrogenation behavior of fluorite-type MgH2: A first principles study

Yan Song, J. Dai, Yuying Chen, 2020 .

Rational design single-atom modified Zr2CO2 MXene as a promising catalyst for nitrogen reduction reaction

Yan Song, Cuiping Shao, Yuwen Cheng, 2023, International Journal of Hydrogen Energy.