601 citations · 1.2k across the 18 of their papers we have counts for
18 papers
A Simple and Efficient Lattice Summation Method for Metallic Electrodes in Constant Potential Molecular Dynamics Simulation
Haoyu Li, Peiyao Wang, Jefferson Zhe Liu +1
The constant potential molecular dynamics simulation method proposed by Siepmann and Sprik and reformulated later by Reed (SR-CPM) has been widely employed to investigate the metal…
Quadrupling the stored charge by extending the accessible density of states
Mengyu Yan, Peiyao Wang, Xuelei Pan +8
Nanosized energy storage, energy-harvesting, and functional devices are the three key components for integrated self-power systems. Here, we report on nanoscale electrochemical dev…
Interlayer Sliding-Induced Intralayer Ferroelectric Switching in Bilayer Group-IV Monochalcogenides
Bo Xu, Junkai Deng, Xiangdong Ding +2
Two-dimensional materials with ferroelectric properties break the size effect of conventional ferroelectric materials and unlock unprecedented potentials of ferroelectric-related a…
Physics-based Machine Learning Discovered Nano-circuitry for Nonlinear Ion Transport in Nanoporous Electrodes
Hualin Zhan, Richard Sandberg, Fan Feng +5
Confined ion transport is involved in nanoporous ionic systems. However, it is challenging to mechanistically predict its electrical characteristics for rational system design and…
Diverse electronic and magnetic properties of CrS2 enabling novel strain-controlled 2D lateral heterostructure spintronic devices
Kaiyun Chen, Junkai Deng, Yuan Yan +6
Lateral heterostructures of two-dimensional (2D) materials, integrating different phases or materials into a single piece of nanosheet, have attracted intensive research interests…
Modulating Peierls distortion of 1T_prime MoS2 via charge doping: a new charge density wave phase, reversible phase transition, and excellent electromechanical properties
Kaiyun Chen, Junkai Deng, Qian Shi +4
The 1T_prime phase of transition metal dichalcogenides (TMDs) is a low symmetry charge density wave (CDW) phase, which can be regarded as a periodically distorted structure (Peierl…
Electromechanical actuation of pristine graphene and graphene oxide: origin, optimization, and comparison
Jefferson Zhe Liu, Jeffrey Hughes
It is well recognized that the miniaturization of electromechanical devices will bring a revolution to humanity in the coming decades synonymous with the effects of miniaturizing e…
Mechanical buckling induced periodic kinking/stripe microstructures in mechanically peeled graphite flakes from HOPG
Manrui Ren, Ze Liu, Quan-shui Zheng +1
Mechanical exfoliation is a widely used method to isolate high quality graphene layers from bulk graphite. In our recent experiments, some ordered microstructures, consisting of a…
Cation ordering induced polarization enhancement for - ferroelectric-dielectric superlattices
Junkai Deng, Alex Zunger, Jefferson Zhe Liu
In this paper, an efficient computational material design approach (cluster expansion) is employed for the ferroelectric / system. Via exploring a conguration spa…
Anomalous elastic buckling of hexagonal layered crystalline materials in the absence of structure slenderness
Manrui Ren, Jeffernson Zhe Liu, Lifeng Wang +1
Hexagonal layered crystalline materials, such as graphene, boron nitride, tungsten sulfate, and so on, have attracted enormous attentions, due to their unique combination of atomis…
Piezoelectric properties of graphene oxide from the first-principles calculations
Zhenyue Chang, Wenyi Yan, Jin Shang +1
Some highly ordered compounds of graphene oxide (GO), e.g., the so-called clamped and unzipped GO, are shown to have piezoelectric responses via first-principles density functional…
Binding and interlayer force in the near-contact region of two graphite slabs: experiment and theory
Tim Gould, Ze Liu, Jefferson Zhe Liu +3
Via a novel experiment, Liu \emph{et al.} [Phys. Rev. B, {\bf 85}, 205418 (2012)] estimated the graphite binding energy, specifically the cleavage energy, an important physical pro…
Control of Surface Wettability via Strain Engineering
Wei Xiong, Jefferson Zhe Liu, Zhiliang Zhang +1
Reversible control of surface wettability has wide applications in lab-on-chip systems, tunable optical lenses, and microfluidic tools. Using a graphene sheet as a sample material…
Interlayer shear strength of single crystalline graphite
Ze Liu, Shoumo Zhang, Jiarui Yang +3
Reported values (0.2 MPa ~ 7.0 GPa) of the interlayer shear strength (ISS) of graphite are very dispersed. The main challenge to obtain a reliable value of ISS is the lack of preci…
Strain Engineering Water Transport in Graphene Nano-channels
Wei Xiong, Jefferson Zhe Liu, Ming Ma +3
Using equilibrium and non-equilibrium molecular dynamic (MD) simulations, we found that engineering the strain on the graphene planes forming a channel can drastically change the i…
Viscous damping of nanobeam resonators: humidity, thermal noise and the paddling effect
Chao Chen, Ming Ma, Jefferson Zhe Liu +2
The nanobeam resonator is the key mechanical component in the nano-electromechanical system. In addition to its high frequency originating from its low dimension, the performance i…
Self-retracting motion of graphite micro-flakes: superlubricity in micrometer scale
Ze Liu, Jefferson Zhe Liu, Jiarui Yang +4
Through experimental study, we reveal superlubricity as the mechanism of self-retracting motion of micrometer sized graphite flakes on graphite platforms by correlating respectivel…
Interlayer binding energy of graphite -- A direct experimental determination
Ze Liu, Jefferson Zhe Liu, Yao Cheng +1
Despite interlayer binding energy is one of the most important material properties for graphite, there is still lacking report on its direct experimental determination. In this pap…