Pierre Turq,an inspirational scientist in charge and at interfaces

Pierre Turq has made decisive contributions to the theory and to the multiscale simulation of charged systems, such as molten salts, electrolyte solutions and colloidal suspensions, in the bulk, at interfaces and under confinement. His research line focussed on dynamical properties and was characterised by constant efforts to connect his theoretical work to both experiments and practical applications. In this article, his colleagues and former students pay a tribute to his past and current research interests by illustrating some recent developments accomplished in his laboratory.     

Gate-controlled low-bias rectifying behaviors in BDC60 molecule

Using first-principles density functional theory and non-equilibrium Greenʼs function formalism for quantum transport calculation, we have investigated the effect of gate voltage on the electronic transport properties of BDC60-based molecular junction. The results show that the transport properties are strongly modulated by the applied gate voltage, and the current–voltage curve displays an obvious rectifying behavior at much low bias region. The mechanism for the rectifying behavior is analyzed by the bias-dependent transmission spectrum, projected density of states, spatial distribution of molecular projected self-consistent Hamiltonian orbitals and voltage drop over the junction.     

RECENT ADVANCES OF UPSCALING METHODS FOR THE SIMULATION OF FLOW TRANSPORT THROUGH HETEROGENEOUS POROUS MEDIA

We review some of our recent efforts in developing upscaling methods for simulatingthe flow transport through heterogeneous porous media. In particular, the steady flowtransport through highly heterogeneous porous media driven by extraction wells and theflow transport through unsaturated porous media will be considered.     

Elementary Andreev processes in a driven superconductor–normal metal contact

We investigate the full counting statistics of a voltage-driven normal metal(N)–superconductor(S) contact. In the low-bias regime below the superconducting gap, the NS contact can be mapped onto a purely normal contact, albeit with doubled voltage and counting fields. Hence in this regime the transport characteristics can be obtained by the corresponding substitution of the normal metal results. The elementary processes are single Andreev transfers and electron- and hole-like Andreev transfers. Considering Lorentzian voltage pulses we find an optimal quantization for half-integer Levitons.     

Enhanced robustness of zero-line modes in graphene via magnetic field

We systematically studied the influence of magnetic field on zero-line modes (ZLMs) in graphene and demonstrated the physical origin of their enhanced robustness by employing nonequilibrium Green’s functions and the Landauer–Büttiker formula. We found that a perpendicular magnetic field can separate the wavefunctions of the counter-propagating kink states into opposite directions. Specifically, the separation vanishes at the charge neutrality point and increases as the Fermi level deviates from the charge neutrality point and can reach a magnitude comparable to the wavefunction spread at a moderate field strength. Such spatial separation of oppositely propagating ZLMs effectively suppresses backscattering and is more significant under zigzag boundary condition than under armchair boundary condition. Moreover, the presence of magnetic field enlarges the bulk gap and suppresses the bound states, thereby further reducing the scattering. These mechanisms effectively increase the mean free paths of the ZLMs to approximately 1 μm in the presence of a disorder.     

Rectifying properties of a boron/nitrogen-doped C131-based molecular junction: A first-principles study

Using first-principles density functional theory and non-equilibrium Green′s function formalism for quantum transport calculation, we have investigated the electronic transport properties of the boron/nitrogen-doped C₁₃₁-based molecular junction. Our results show that an obvious rectifying behavior is observed. Moreover, the rectifying performance can be tuned by adjusting the doping sites. The mechanism for the rectifying phenomenon is suggested. The present findings could be helpful for the application of the C₁₃₁ molecule in the field of single molecular devices or nanometer electronics.     

Non-equilibrium Landauer transport model for Hawking radiation from a Reissner—Nordstrom black hole

The recent work of Nation et al., in which the Hawking radiation energy and entropy flow from a black hole is considered to be produced in a one-dimensional Landauer transport process, is extended to the case of a Reissner- Nordstrom black hole. The energy flow contains not only the contribution of the thermal flux but also that of the particle flux. It is found that the charge can also be transported via the one-dimensional quantum tunnel. Because of the existence of the electrostatic potential, the entropy production rate is shown to be smaller than that of the Schwarzschild black hole.     

互花米草定植的养殖尾水处理人工湿地中古菌群落的组成与分布

为探究凡纳滨对虾养殖尾水处理过程中互花米草湿地的净化效果和沉积物古菌群落的组成与分布,基于16S rRNA基因的高通量测序技术,从沉积物环境因子、古菌群落结构和多样性、环境因子与古菌群落间的相互关系进行分析.结果表明:互花米草人工湿地深层沉积物的古菌群落多样性显著高于表层和根际沉积物;门水平上,互花米草人工湿地优势古菌为泉古菌门、广古菌门和奇古菌门;纲水平上,优势古菌为深古菌纲、甲烷微菌纲和热源体纲;目水平上,互花米草人工湿地中含3种氨氧化古菌和7种产甲烷古菌.非度量多维尺度分析(NMDS)表明,互花米草根际沉积物与深层沉积物古菌群落差异显著(P<0.05),与表层更为相似.冗余分析(RDA)及Mantel检验表明,影响古菌群落的主要环境因子包括p H、铵氮(NH₄⁺-N)、总有机碳(TOC)和总磷(TP).相关性热图表明奇古菌门和其中的亚硝基菌纲与环境因子的相关性最强.氨氧化古菌群落与pH、NH₄⁺-N、总氮(TN)和TP呈显著相关(P<0.01),产甲烷古菌与环境因子则无显著相关性....