Results 191 to 200 of about 12,272 (307)

Quantum topology emerges at near field. [PDF]

Light Sci Appl
Guo Z, Shen Y.
europepmc   +1 more source

Escaping the Scaling Relationships in Oxygen Reduction Catalysis: Implications for PEM Fuel Cells

Advanced Materials, EarlyView.
Escaping the scaling relationships of the oxygen reduction reaction is vital for hydrogen fuel cells. This outlook examines how interfacial heterogeneity, spanning the subsurface lattice, chemisorption layer, and near‐interface solvation volume, mechanistically decouples intermediate binding energetics.
Muhammad Bilal Wazir, Lourdes F. Vega, Maryam Khaleel   +2 more
wiley   +1 more source

The Newton-X platform for mixed quantum-classical dynamics.

Phys Chem Chem Phys
Barbatti M, Mattos RS, Demoulin B, de O Bispo M, Bondanza M, Brady M, Crespo-Otero R, de Miranda EGF, Dral PO, Granucci G, Hehn A, Hernández FJ, Iuzzolino G, Kar R, Kossoski F, Lischka H, Mennucci B, Mukherjee S, Mukhopadhyay A, Perrella F, Persico M, Pinheiro M, Pittner J, Plasser F, Rega N, Sangiogo-Gil E, Thorat T, Toldo JM, Tomaz AA, Varella MTDN, Vasquez L.   +30 more
europepmc   +1 more source

Establishing Atomic Coherence in Twisted Oxide Membranes Containing Volatile Elements

Advanced Materials, EarlyView.
Twisted oxide membranes containing volatile elements often suffer from amorphous interfacial dead layers that suppress coupling. An oxygen‐annealing strategy establishes atomically coherent and chemically bonded interfaces in twisted NaNbO3 membranes, enabling coherent oxide moiré architectures in volatile‐element‐containing systems.
Young‐Hoon Kim, Reza Ghanbari, Min‐Hyoung Jung, Yang Zhang, Young‐Min Kim, Ruijuan Xu, Miaofang Chi   +6 more
wiley   +1 more source

Molecular Quantum Computations on a Protein. [PDF]

J Chem Theory Comput
Shajan A, Kaliakin D, Liang F, Pellegrini T, Doga H, Bhowmik S, Das S, Mezzacapo A, Motta M, Merz KM.   +9 more
europepmc   +1 more source

Origin of Dark Current Robustness in Photomultiplication Organic Photodetectors Enabled by Ionic Conjugated Electron‐Blocking Layers

Advanced Materials, EarlyView.
Ionic conjugated polyelectrolyte electron‐blocking layers enable photomultiplication organic photodetectors with dark current robustness up to −10 V and external quantum efficiencies exceeding 3000%. Fowler–Nordheim tunneling, interfacial dipole, trap density of states, and noise analyses reveal how ionic conjugated polyelectrolytes suppress electron ...
Yelim Kang, Min Hun Jee, Shuai Zhang, Sang Heon Lee, Jung Min Ha, Xingchao Zhao, Xiaoling Ma, Huiseong Shin, Changhwan Shin, Soonyong Lee, Fujun Zhang, Jae Won Shim, Han Young Woo   +12 more
wiley   +1 more source

DMRG/FQ: A Polarizable Embedding Approach Combining Density Matrix Renormalization Group and Fluctuating Charges. [PDF]

J Chem Theory Comput
Rinaldi M, Sepali C, Kirk AM, Amovilli C, Cappelli C.   +4 more
europepmc   +1 more source

The Mercury Orbit and the Quantum Mechanics

International Journal of Science and Research (IJSR), 2023
openaire   +1 more source

Measuring and Manipulating Density of States in Two‐Dimensional Materials With Electrochemical Capacitance

Advanced Materials Interfaces, EarlyView.
We report electrochemical quantum capacitance spectroscopy as an ambient, in situ probe for defect‐mediated electronic structure at 2D material interfaces. Using monolayer MoS2, the method resolves band edges and vacancy states, tracks sulfur‐vacancy evolution during hydrogen evolution, and links interfacial density‐of‐states changes to nearly ...
Mengyu Yan, Mitchell Kaiser, Maria L. Sushko, Xiaobin Liao, Hao Tang, Chun‐Chih Tseng, Matthew Yankowitz, Ying Xia, Jihui Yang, Jun Liu   +9 more
wiley   +1 more source

Study on the Effect of Substitutional Doping of Ce Atomic on the Damage Properties of Fused Silica. [PDF]

Materials (Basel)
Chen J, Ni K, Hong R, Li L, Sui Z.
europepmc   +1 more source