张广平

2026

偶氮类分子结的异构开关与整流特性

《物理学报》

2026

Giant Tunneling Electroresistance up to 108% via Synchronous Ohmic–Schottky Switching at Dual Interfaces in Ti2CF2/Bilayer GaN Sliding Ferroelectric Tunnel Junctions

The Journal of Physical Chemistry Letters

DOI

2026

Electrically controllable bipolar spin filtering in a sliding bilayer VSi2N4 multiferroic tunnel junction

Chinese Journal of Physics

DOI

2026

Spin Filters, Spin Valves, and Reconfigurable Logic Gates Realized in a Dual-Gate-Controlled Bipolar-Magnetic-Molecule Junction

Langmuir

DOI

2026

Ring Current and Local Magnetic Fields Influenced by Quantum Interference in Molecular Junctions

The Journal of Physical Chemistry Letters

DOI

2026

Gate-controlled spin-polarization reversal in high-performance nanoscale field-effect transistors with a bipolar magnetic semiconductor LaBr2 channel

npj Computational Materials

DOI

2026

Spin Filtering Induced by Quantum Interference and Weak Interfacial Spin Polarization

The Journal of Physical Chemistry Letters

DOI

2026

Biaxial Strain Engineering for High-Performance Monolayer GeSe Sensors toward Nitrogen-Containing Toxic Gases

Langmuir

DOI

2026

All-Electrical Manipulation for Magnetism and Fano Resonance in the Molecular Junction Based on a Covalently Functionalized Graphene Nanosheet

The Journal of Physical Chemistry Letters

DOI

2026

Role of Interfacial Interaction Type in Rectifying the Behaviors of Lateral and Vertical Heterojunction Schottky Diodes

Langmuir

DOI

2026

Pressure-Induced Antiferromagnetic to Nonmagnetic Phase Transition in a Heptacene Junction

Langmuir

DOI

2026

Imine linkers enable the formation of robust single-molecule junctions

Chemical Communications

DOI

2025

Dehydrogenation-induced polarity flipping of charge carriers and conductance enhancement in nitrogen-containing heterocyclic molecule-anchored single-molecule junctions

Chinese Physics B

DOI

2025

Enhancement of rectification by quantum interference in co-oligomer molecular diodes

Chinese Physics B

DOI

2025

Machine learning prediction of HSE06-level band gaps in two-dimensional semiconductors with reference-guided graph neural networks

Chinese Physics B

DOI

2025

重原子效应对多重共振热活化延迟荧光分子发光性质的影响:理论见解（英文）

Chinese Journal of Chemical Physics

2025

Effect of side group on mechanically induced conductance switching in 4,4′-dipyridyl-based single-molecule junctions

Chinese Physics B

DOI

2025

Spin-dependent charge injection induced spin filtering reversal in organic ferromagnet-based spin devices

Physics Letters

DOI

2025

Achieving giant tunneling electroresistance ratio of up to 109% in sliding ferroelectric tunnel junctions based on MoGe2N4 bilayer

Applied Physics Letters

DOI

2025

Dual Control of Spin Polarization Reversal in a Bipolar Magnetic Single-Molecule Spin Field-Effect Transistor

Langmuir

DOI

2025

Spin Polarization and Transport Properties of Flat Bands in Covalently Functionalized Graphene-Based Junctions

Langmuir

DOI

2025

Spin filtering and rectifying behaviors in the super narrow borophene nanoribbon heterojunctions

Computational Materials Science

DOI

2025

Publisher Correction: First principles design of multifunctional spintronic devices based on super narrow borophene nanoribbons

Scientific Reports

DOI

2025

Realizing sub-6-nm-channel high-performance spin field-effect transistors in lateral Sc2CHO/Sc2CHF/Sc2CHO heterojunctions

Applied Physics Letters

DOI

2025

First principles design of multifunctional spintronic devices based on super narrow borophene nanoribbons

Scientific Reports

DOI

2024

基于锯齿形石墨烯纳米带电极的二甲基二氢芘单分子器件开关性能和自旋过滤效率的第一性原理研究（英文）

Chinese Journal of Chemical Physics

2024

Switchable modes of azulene-based single molecule–electrode coupling controlled by interfacial charge distribution

Chemical Science

DOI

2024

Azaindole: A Candidate Anchor for Regulating Charge Polarity and Inducing Resonance Transmission at the Fermi Level via Dehydrogenation

The Journal of Physical Chemistry A

DOI

2024

A two-dimensional TaGe2P4–WSi2As4 van der Waals heterojunction: A near-ideal rectifier

Chinese Journal of Physics

DOI

2024

Spin polarization and transport of hybrid interface states in π-stacked magnetic molecular junctions

Surfaces and Interfaces

DOI

2024

Bias-induced magnetic to nonmagnetic transition in polyacene junctions

Applied Physics Letters

DOI

2024

Designing High-Performance Nanoscale Spin-MOSFET Devices by Using Two-Dimensional Half-Metallic Cr2Se3

ACS Applied Materials & Interfaces

DOI

2024

Semiconducting triferroic multiferroics in van der Waals bilayer lattice

Physical Review Applied

DOI

2024

Schottky diodes based on in-plane TaSi2N4–WGe2N4 and TaSi2N4–MoGe2N4 heterojunctions

Chinese Journal of Physics

DOI

2024

Tuning the polarity of charge carriers in N-heterocyclic carbene-based single-molecule junctions via atomic manipulation

Physical Chemistry Chemical Physics

DOI

2023

Remarkable modulation of the spin transport properties of transition metal dibenzotetraaza[14]annulenes by adsorption of oxygen

Physics Letters A

DOI

2023

Effects of ambient air on functional stability of single-molecule spin logic gate

Chinese Journal of Chemical Physics

DOI

2023

Interfacial electronic properties between PtSe 2 and 2D metal electrodes: a first-principles simulation

Physical Chemistry Chemical Physics

DOI

2023

Regulating the electronic properties of the WGe 2 N 4 monolayer by adsorption of 4d transition metal atoms towards spintronic devices

Physical Chemistry Chemical Physics

DOI

2023

Silver electrodes provide higher conductance than gold for thiol-terminated oligosilane molecular junctions: the interfacial effect

Physical Chemistry Chemical Physics

DOI

2023

Theoretical study of introducing spin into nonmagnetic graphene-based single-molecule junction by edge modifications

Acta Physica Sinica

DOI

2022

Molecular rectification assisted by spin-polarized hybrid interfacial states

Physics Letters

DOI

2022

Mechanism of length-induced magnetism in polyacene molecules

Physical review B

DOI

2022

Mechanically controllable conductance in carbon nanotube based nanowires

Physical Chemistry Chemical Physics

DOI

2022

Theoretical study on the electronic and transport properties of top and edge contact MoSi2N4/Au heterostructure

Physics Letters A

DOI

2022

Electronic and optical properties of lateral heterostructures within monolayer black phosphorene and group-IV monochalcogenides

Physics Letters A

DOI

2022

Effect of crystallographic orientations on transport properties of methylthiol-terminated permethyloligosilane molecular junction

Chinese Physics B

DOI

2022

Schottky diodes based on blue phosphorene nanoribbon homojunctions

Physical Chemistry Chemical Physics

DOI

2021

Bias-induced reconstruction of hybrid interface states in magnetic molecular junctions

Chinese Physics B

DOI

2021

The contact barrier of a 1T'/2H MoS2 heterophase bilayer and its modulation by adatom and strain: a first-principles study.

Physical Chemistry, Chemical Physics - PCCP

DOI

2021

Design of multifunctional spin logic gates based on manganese porphyrin molecules connected to graphene electrodes

Physical Chemistry Chemical Physics

DOI

2021

Site-dependent spin-polarized tunneling via hybrid interface states on molecule/ferromagnet surface

Physica E Low-dimensional Systems and Nanostructures

DOI

2021

Large Rectification Ratio of up to 106 for Conjugation-Group-Terminated Undecanethiolate Single-Molecule Diodes on Pt Electrodes

The Journal of Physical Chemistry C

DOI

2021

Modulation of the contact barrier at VS2/MoS2 interface: A first principles study

Physics Letters A

DOI

2021

Designing multifunctional single-molecule devices by mononuclear or binuclear manganese phthalocyanines

Physica E Low-dimensional Systems and Nanostructures

DOI

2021

Length-induced large magnetoresistance in polyacene molecular spin valves

Results in Physics

DOI

2021

Theoretically study on the electronic and transport properties of the metallic 2D material/WS2 heterojunction

Physica B Condensed Matter

DOI

2021

Modulation of hybrid interface states and magnetoresistance in quantum interference systems via functional groups

Journal of Magnetism and Magnetic Materials

DOI

2021

Electric field induced magnetism decline in organic ferromagnets

Physica E Low-dimensional Systems and Nanostructures

DOI

2021

Greatly improving the rectifying performance of single-molecule diodes through molecular structure design and electrode material optimization

Physica E Low-dimensional Systems and Nanostructures

DOI

2021

A first-principles study of phthalocyanine-based multifunctional spintronic molecular devices

Physical Chemistry Chemical Physics

DOI

2020

异构二芳基乙烯分子结低偏压电导机制的第一性原理研究（英文）

Chinese Journal of Chemical Physics

2020

Weak-field polaron dynamics in organic ferromagnets.

Physical Chemistry, Chemical Physics - PCCP

DOI

2020

The grain boundary effect on mechanical and electronic transport properties of a striped borophene.

Physical Chemistry, Chemical Physics - PCCP

DOI

2020

Doping-induced large spin-filter behavior and rectification behavior in zigzag graphene nano-ribbon junction

Physica E Low-dimensional Systems and Nanostructures

DOI

2020

Adsorption-site-dependent magnetic and electronic properties for single- or double-fluorine-atom adsorbed boron nitride nanotubes and their possible applications in spin filters

Physics Letters A

DOI

2020

Protonation control of spin transport properties in magnetic single-molecule junctions

Journal of Materials Science

DOI

2020

Magnetic manipulation of orbital hybridization and magnetoresistance in organic ferromagnetic co-oligomers

Physica E Low-dimensional Systems and Nanostructures

DOI

2020

Low-bias conductance mechanism of diarylethene isomers: A first-principle study

Chinese Journal of Chemical Physics

DOI

2020

Theoretically exploring the possible configurations, the electronic and transport properties of MoS2-OH bilayer

Physics Letters A

DOI

2020

Mechanism Study of Molecular Deformation of 2,2′,5′,2″-Tetramethylated p-Terphenyl-4,4″-dithiol Trapped in Gold Junctions

The Journal of Physical Chemistry Letters

DOI

2020

Manipulating Current Spin Polarization in Magnetic Single-Molecule Junctions via Destructive Quantum Interference

The Journal of Physical Chemistry C

DOI

2020

Modulation of spin thermoelectric properties in transition metal porphyrin single-molecule spin caloritronic devices by Fano resonance

Physica E Low-dimensional Systems and Nanostructures

DOI

2020

Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes*

Chinese Physics B

DOI

2020

Odd-even effect of the switching performance for dimethyldihydropyrene/cyclophanediene single-molecule switch modulated by carbon atomic chains

Organic Electronics

DOI

2020

Pervasive Ohmic contacts of monolayer 4-hT 2 graphdiyne transistors

Nanotechnology

DOI

2020

Asymmetrically flexoelectric gating effect of Janus transition-metal dichalcogenides and their sensor applications

Journal of Materials Chemistry C

DOI

2020

Anisotropic interfacial properties of monolayer C 2 N field effect transistors

Physical Chemistry Chemical Physics

DOI

2019

Tunneling magnetoresistance in ferromagnet/organic-ferromagnet/metal junctions

Chinese Physics B

DOI

2019

Modulating hybrid interface states in magnetic molecular junctions by molecular geometrical torsion

Journal of Magnetism and Magnetic Materials

DOI

2019

Enhancement of magnetoresistance and current spin polarization in single-molecule junctions by manipulating the hybrid interface states via anchoring groups

Journal of Magnetism and Magnetic Materials

DOI

2019

Surface engineering of phosphorene nanoribbons by transition metal heteroatoms for spintronics

Physical Chemistry Chemical Physics

DOI

2019

Robust staggered band alignment in one-dimensional van der Waals heterostructures: binary compound nanoribbons in nanotubes

Journal of Materials Chemistry C

DOI

2019

Bias and molecular-length dependent odd–even effect of rectification in 4′-methyl-2,2′-bipyridyl-terminated n -alkanethiolate single-molecule diodes

Journal of Materials Chemistry C

DOI

2018

Effect of molecular conformations on the electronic transport in oxygen-substituted alkanethiol molecular junctions.

Journal of Chemical Physics

DOI

2018

Optimizing the conductance switching performance in photoswitchable dimethyldihydropyrene/cyclophanediene single-molecule junctions

Physica E Low-dimensional Systems and Nanostructures

DOI

2018

Controlling Rectification Performance by Tuning Molecule–Electrode Coupling Strength in Ferrocenyl-Undecanethiolate Molecular Diodes

The Journal of Physical Chemistry C

DOI

2018

Multistate magnetoresistance in zigzag-edge trigonal graphene magnetic junctions

Journal of Materials Science

DOI

2018

Ground-state properties of metal/organic-ferromagnet heterojunctions

Physical review. B./Physical review. B

DOI

2018

Controlling the conductance of single-molecule junctions with high spin filtering efficiency by intramolecular proton transfer

Organic Electronics

DOI

2018

Doping-induced negative differential conductance enhancement in single-molecule junction

Physica E Low-dimensional Systems and Nanostructures

DOI

2018

High-Performance Single-Molecule Switch Designed by Changing Parity of Electronic Wave Functions via Intramolecular Proton Transfer

The Journal of Physical Chemistry C

DOI

2018

Modulating spin-dependent electron transport in benzene-dithiolate magnetic junctions by hybrid interface states

Journal of Physics D Applied Physics

DOI

2018

Theoretical understanding of the inversion of rectification direction in ferrocenyl-embedded tridecanethiolate single-molecule rectifiers

Physica E Low-dimensional Systems and Nanostructures

DOI

2018

Fabricating Atom-Sized Gaps by Field-Aided Atom Migration in Nanoscale Junctions

Physical Review Applied

DOI

2018

Azulene-like molecular devices with high spin filtering, strong spin rectifying, and giant magnetoresistance effects

Organic Electronics

DOI

2018

Polarons in organic ferromagnets

Organic Electronics

DOI

2018

Designing molecular rectifiers and spin valves using metallocene-functionalized undecanethiolates: one transition metal atom matters

Journal of Materials Chemistry C

DOI

2018

High magnetoresistance in ultra-thin two-dimensional Cr-based MXenes

Nanoscale

DOI

2017

Modulation of spatial spin polarization at organic spinterface by side groups

Applied Surface Science

DOI

2017

Effect of H2O Adsorption on Negative Differential Conductance Behavior of Single Junction

Scientific Reports

DOI

2017

Mechanisms of the odd-even effect and its reversal in rectifying performance of ferrocenyl-n-alkanethiolate molecular diodes

Organic Electronics

DOI

2017

Is there a specific correlation between conductance and molecular aromaticity in single-molecule junctions?

Organic Electronics

DOI

2017

Tuning the Direction of Rectification by Adjusting the Location of the Bipyridyl Group in Alkanethiolate Molecular Diodes

The Journal of Physical Chemistry C

DOI

2017

Obvious modulation of rectifying performance by conjugation breaking of the bridging fragment in donor–bridge–acceptor molecular diodes

RSC Advances

DOI

2016

Hydrogenation-induced giant rectifying behaviors in silicene and germanene heterojunctions

Computational Materials Science

DOI

2016

Modulation of organic interfacial spin polarization by interfacial angle

Chemical Physics Letters

DOI

2016

Rectifying enhancement induced by conjugation breaking in thiolated arylethynylene single-molecular diodes

Chemical Physics Letters

DOI

2016

Inversion of spin-current rectification in magnetic co-oligomer diodes

Organic Electronics

DOI

2016

Giant rectification in graphene nanoflake molecular devices with asymmetric graphene nanoribbon electrodes

Physics Letters A

DOI

2016

Spin Polarization at Organic-Ferromagnetic Interface: Effect of Contact Configuration

Chinese Journal of Chemical Physics

DOI

2016

Detecting CO, NO and NO2 gases by Boron-doped graphene nanoribbon molecular devices

Chemical Physics Letters

DOI

2016

Strong Fermi level pinning induces a high rectification ratio and negative differential resistance in hydrogen bonding bridged single cytidine pair junctions

Physical Chemistry Chemical Physics

DOI

2014

Proportion effect in diblock co-oligomer molecular diodes

Chemical Physics Letters

DOI

2014

Rectifying Properties of Oligo(Phenylene Ethynylene) Heterometallic Molecular Junctions: Molecular Length and Side Group Effects

Scientific Reports

DOI

2013

双嵌段共聚物分子器件整流特性研究

《山东师范大学》

2013

门电场对有机单分子器件的影响(英文)

Chinese Journal of Chemical Physics

2013

Molecular-length induced inversion of rectification in diblock pyrimidinyl–phenyl molecular junctions

Chemical Physics Letters

DOI

2013

Obvious variation of rectification behaviors induced by isomeric anchoring groups for dipyrimidinyl–diphenyl molecular junctions

Physics Letters A

DOI

2013

Protonation and deprotonation effects on charge transports of butane-based molecular junctions

Chemical Physics Letters

DOI

2013

Bias Dependence of Rectifying Direction in a Diblock Co-oligomer Molecule with Graphene Nanoribbon Electrodes

The Journal of Physical Chemistry C

DOI

2013

Stretch or contraction induced inversion of rectification in diblock molecular junctions

The Journal of Chemical Physics

DOI

2013

Effect of Gate Electric Field on Single Organic Molecular Devices

Chinese Journal of Chemical Physics

DOI

2012

Modulation of Rectification in Diblock Co-oligomer Diodes by Adjusting Anchoring Groups for Both Symmetric and Asymmetric Electrodes

The Journal of Physical Chemistry C

DOI

2012

Theoretical Studies on Protonation-Induced Inversion of the Rectifying Direction in Dipyrimidinyl–Diphenyl Diblock Molecular Junctions

The Journal of Physical Chemistry C

DOI

2011

The effects of contact configurations on the rectification of dipyrimidinyl—diphenyl diblock molecular junctions

Chinese Physics B

DOI

2011

Length-dependent inversion of rectification in diblock co-oligomer diodes

Applied Physics Letters

DOI

2011

First-Principles Study on Formation and Electron-Transport Properties of Single Oligothiophene Molecular Junctions

The Journal of Physical Chemistry C

DOI

2010

Hydration effect on the electronic transport properties of oligomeric phenylene ethynylene molecular junctions

Chinese Physics B

DOI

2018

基于金属二茂物的分子整流器件和自旋过滤阀的理论设计:二茂物种类的影响

《第七届全国计算原子与分子物理学术会议》

2017

双吡啶基烷烃硫醇分子整流性能调控的理论研究

《2017年第九届全国青年计算物理学术会议》

2014

基于石墨烯纳米带的双嵌段共聚物分子的整流特性

《第五届全国计算原子与分子物理学术会议》

2017

Towards Rectifying Performance at the Molecular Scale

Topics in current chemistry collections

DOI